SCHEMBL6441713

SCHEMBL6441713

C=CC(=O)SCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.48
IDO1 P14902 2/20 0.47
KEAP1 Q14145 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
ADRA1A P35348 1/20 0.42
SLC6A3 Q01959 1/20 0.42
FFAR1 O14842 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19456859 0.87 NOS1 (0.50) NOS1IDO1TAAR1
SCHEMBL672394 0.82 IDO1 (0.48) NOS1IDO1ALDH1A1CES1AKT1
Phenethylamine SCHEMBL28841965 0.74 HTR2A (0.64) KEAP1SMN1; SMN2HDAC2HDAC8HDAC6
Acrylamide SCHEMBL8009772 0.74 FFAR1 (0.52) KEAP1SMN1; SMN2HDAC2HDAC8HDAC6
SCHEMBL6049236 0.74 NOS1 (0.64) NOS1IDO1KEAP1SMN1; SMN2HDAC2
SCHEMBL6882189 0.74 ALDH1A1 (0.57) NOS1IDO1KEAP1SMN1; SMN2HDAC2
SCHEMBL8534052 0.74 NOS1 (0.53) NOS1IDO1KEAP1SMN1; SMN2HDAC2
SCHEMBL29004556 0.74 IDO1 (0.61) NOS1IDO1KEAP1SMN1; SMN2HDAC2
SCHEMBL11686207 0.74 NOS1 (0.53) NOS1IDO1KEAP1SMN1; SMN2HDAC2
SCHEMBL28338047 0.74 NOS1 (0.53) NOS1IDO1KEAP1SMN1; SMN2HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080381-B1 HIGH REFRACTIVE INDEX OPHTHALMIC DEVICE MATERIALS PREPARED USING A POST-POLYMERIZATION CROSS-LINKING METHOD ALCON MFG LTD (US) 2005-07-27 EP claimed
EP-1002244-B1 METHOD OF PREPARING FOLDABLE HIGH REFRACTIVE INDEX ACRYLIC OPHTHALMIC DEVICE MATERIALS ALCON LAB INC (US) 2003-02-26 EP claimed
EP-1079870-B1 BICOMPOSITE INTRAOCULAR LENS AND METHOD FOR ITS PREPARATION ALCON LAB INC (US) 2001-11-14 EP claimed
EP-1071482-B1 INTRAOCULAR LENS COATING COMPOSITIONS ALCON LAB INC (US) 2001-10-04 EP claimed
US-20010025086-A1 High refractive index ophthalmic device materials prepared using a post-polymerization cross-linking method NOVARTIS AG (CH) 2001-09-27 US claimed
US-6210438-B1 HAVING ANTERIOR SURFACE MATERIAL DIFFERENT FROM ARYL ACRYLIC HYDROPHOBIC COPOLYMER POSTERIOR SURFACE MATERIAL, FOR POSTERIOR CAPSULE OPACIFICATION RISK REDUCTION, A CROSS-LINKING AGENT, UV-ABSORBERS AND BLUE-LIGHT BLOCKING ALCON LABORATORIES, INC. 2001-04-03 US claimed
EP-1079870-A1 BICOMPOSITE INTRAOCULAR LENS AND METHOD FOR ITS PREPARATION Alcon Laboratories, Inc. (US) 2001-03-07 EP claimed
EP-1080381-A1 HIGH REFRACTIVE INDEX OPHTHALMIC DEVICE MATERIALS PREPARED USING A POST-POLYMERIZATION CROSS-LINKING METHOD ALCON LABORATORIES, INC. (US) 2001-03-07 EP claimed
US-6187042-B1 COMPRISING A SUBSTRATE AND A COATING FOR MAKING THE LENS MORE BIOCOMPATIBLE AND REDUCING THE RISK OF POSTERIOR CAPSULE OPACIFICATION, THE COATING IS BASED ON A POLYMER OF TWO HYDROPHOBIC ACRYLIC ESTERS CONTAINING A PHENYL GROUP ALCON LABORATORIES, INC. 2001-02-13 US claimed
EP-1071482-A1 INTRAOCULAR LENS COATING COMPOSITIONS Alcon Laboratories, Inc. (US) 2001-01-31 EP claimed
EP-1002244-A1 METHOD OF PREPARING FOLDABLE HIGH REFRACTIVE INDEX ACRYLIC OPHTHALMIC DEVICE MATERIALS ALCON LABORATORIES, INC. (US) 2000-05-24 EP claimed
WO-1999052570-A1 INTRAOCULAR LENS COATING COMPOSITIONS ALCON LABORATORIES, INC. (US) 1999-10-21 WO claimed
WO-1999053348-A1 HIGH REFRACTIVE INDEX OPHTHALMIC DEVICE MATERIALS PREPARED USING A POST-POLYMERIZATION CROSS-LINKING METHOD ALCON LABORATORIES, INC. (US) 1999-10-21 WO claimed
WO-1999052571-A1 BICOMPOSITE INTRAOCULAR LENS AND METHOD FOR ITS PREPARATION ALCON LABORATORIES, INC. (US) 1999-10-21 WO claimed
US-5891931-A CONTAINING A CURABLE ACRYLATED RESIN POLYMER ALCON LABORATORIES, INC. (US) 1999-04-06 US claimed
WO-1999008136-A1 METHOD OF PREPARING FOLDABLE HIGH REFRACTIVE INDEX ACRYLIC OPHTHALMIC DEVICE MATERIALS ALCON LABORATORIES, INC. (US) 1999-02-18 WO claimed
US-20220062169-A1 OCULAR LENS, PHARMACEUTICAL COMPOSITION, AND USES THEREOF GOLDRED NANOBIOTECH CO., LTD. (TW) 2022-03-03 US disclosed
WO-2020147830-A1 OCULAR LENS, PHARMACEUTICAL COMPOSITION, AND USES THEREOF GOLDRED NANOBIOTECH CO., LTD. (CN) 2020-07-23 WO disclosed
WO-1999007756-A1 OPHTHALMIC LENS POLYMERS ALCON LABORATORIES, INC. (US) 1999-02-18 WO disclosed
WO-1999008136-A1 METHOD OF PREPARING FOLDABLE HIGH REFRACTIVE INDEX ACRYLIC OPHTHALMIC DEVICE MATERIALS ALCON LABORATORIES, INC. (US) 1999-02-18 WO disclosed