SCHEMBL5497702

SCHEMBL5497702

C=C(C)C(=O)OCC(O)COn1nnc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 4/20 0.46
NPSR1 Q6W5P4 2/20 0.45
TSHR P16473 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MAPT P10636 4/20 0.43
USP2 O75604 1/20 0.43
MDM2 Q00987 1/20 0.43
KMT2A Q03164 4/20 0.41
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40

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
SCHEMBL10861748 0.82 RAB9A (0.47) RAB9ASMN1; SMN2NPC1NPSR1TSHR
SCHEMBL3837976 0.77 HDAC3 (0.56) RAB9ASMN1; SMN2NPC1NPSR1TSHR
SCHEMBL6697985 0.76 TSHR (0.55) RAB9ASMN1; SMN2NPC1NPSR1TSHR
SCHEMBL14336224 0.74 SLC9A1 (0.50) RAB9ASMN1; SMN2NPC1MAPTUSP2
SCHEMBL5497686 0.73 HTT (0.43) RAB9ASMN1; SMN2NPC1NPSR1TSHR
SCHEMBL818764 0.73 TSHR (0.58) RAB9ASMN1; SMN2NPC1NPSR1TSHR
SCHEMBL14153147 0.72 NPC1 (0.53) RAB9ASMN1; SMN2NPC1NPSR1TSHR
SCHEMBL13604195 0.72 EGLN3 (0.55) RAB9ASMN1; SMN2NPC1MAPTKMT2A
SCHEMBL2531577 0.70 TSHR (0.56) TSHRALDH1A1
SCHEMBL17103166 0.70 TSHR (0.58) RAB9ASMN1; SMN2NPC1NPSR1TSHR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279507-B2 Contact lenses COOPERVISION INTERNATIONAL HOLDING COMPANY, LP (BB) 2007-10-09 US disclosed
US-20050148682-A1 Interpenetrating polymer network hydrophilic hydrogels for contact lens COOPERVISION INTERNATIONAL LIMITED (GB) 2005-07-07 US disclosed
EP-1095076-A4 INTERPENETRATING POLYMER NETWORK HYDROPHILIC HYDROGELS FOR CONTACT LENS SUNSOFT CORP (US) 2002-11-06 EP disclosed
US-20010044482-A1 Interpenetrating polymer network hydrophilic hydrogels for contact lens COOPERVISION INTERNATIONAL LIMITED (GB) 2001-11-22 US disclosed
EP-1095076-A1 INTERPENETRATING POLYMER NETWORK HYDROPHILIC HYDROGELS FOR CONTACT LENS Sunsoft Corporation (US) 2001-05-02 EP disclosed
WO-2000002937-A1 INTERPENETRATING POLYMER NETWORK HYDROPHILIC HYDROGELS FOR CONTACT LENS SUNSOFT CORPORATION (US) 2000-01-20 WO disclosed
US-5684059-A FLUOROMONOMER, HYDROXYALKYL ACRYLATE OR METHACRYLATE, N-VINYL LACTAM, SULFONIC ACID MONOMER OPTIMERS, INC. 1997-11-04 US disclosed
EP-0253515-B1 Fluorine containing soft contact lens hydrogels OPTIMERS INC (US) 1995-08-09 EP disclosed
WO-1992011300-A1 FLUORINE CONTAINING SOFT CONTACT LENS HYDROGELS SALAMONE JOSEPH C (US) 1992-07-09 WO disclosed
US-4990582-A Wettable, oxygen permeable resistant to protein deposits OPTIMERS, INC. 1991-02-05 US disclosed