SCHEMBL6440534

SCHEMBL6440534

O=C(O)C=CNCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
TAAR1 Q96RJ0 3/20 0.62
CA12 O43570 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
MMP1 P03956 3/20 0.50
MMP2 P08253 3/20 0.50
MMP9 P14780 2/20 0.50
POLB P06746 1/20 0.50
RECQL P46063 1/20 0.50
HCAR2 Q8TDS4 1/20 0.49
PLAAT5 Q96KN8 2/20 0.47
PLAAT4 Q9UL19 2/20 0.47
PLAAT3 P53816 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL28831662 0.81 ALDH1A1 (0.61) ALDH1A1TAAR1MMP1MMP2MMP9
SCHEMBL20587799 0.81 ALDH1A1 (0.61) ALDH1A1TAAR1MMP1MMP2MMP9
SCHEMBL17671068 0.79 TSHR (0.44) ALDH1A1TAAR1POLBHCAR2HPGD
SCHEMBL8470485 0.79 MAPT (0.53) ALDH1A1TAAR1CA12CA2CA9
SCHEMBL28845891 0.78 MAPT (0.54) ALDH1A1POLBSMN1; SMN2HPGDLMNA
Maleic Acid SCHEMBL4301221 0.78 ALDH1A1 (0.66) ALDH1A1TAAR1HCAR2SMN1; SMN2LMNA
SCHEMBL4017341 0.76 ALDH1A1 (1.00) ALDH1A1TAAR1MMP1MMP2MMP9
SCHEMBL4017350 0.76 ALDH1A1 (1.00) ALDH1A1TAAR1MMP1MMP2MMP9
SCHEMBL6891812 0.76 ALDH1A1 (1.00) ALDH1A1TAAR1MMP1MMP2MMP9
SCHEMBL1883888 0.76 KEAP1 (0.52) ALDH1A1TAAR1CA12CA2CA9

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 45 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-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
EP-1079870-A1 BICOMPOSITE INTRAOCULAR LENS AND METHOD FOR ITS PREPARATION 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