SCHEMBL8028264

SCHEMBL8028264

C=CC(=O)OC(CCCC)c1cccc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
THRB P10828 2/20 0.39
THRA P10827 1/20 0.39
AOC3 Q16853 1/20 0.39
TSHR P16473 1/20 0.38
CNR1 P21554 3/20 0.38
CNR2 P34972 3/20 0.38
CYP2C9 P11712 1/20 0.37
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
CDC25C P30307 1/20 0.36

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
SCHEMBL8038236 0.92 AOC3 (0.40) KDM4EKMT2AL3MBTL1AOC3CYP2C9
SCHEMBL12335334 0.84 KDM4E (0.45) KDM4EKMT2AL3MBTL1AOC3CNR1
SCHEMBL2326062 0.82 AOC3 (0.39) KDM4EKMT2AAOC3CYP2C9
SCHEMBL2326069 0.82 AOC3 (0.39) KDM4EKMT2AAOC3CYP2C9
SCHEMBL11567917 0.80 KDM4E (0.49) KDM4EKMT2AL3MBTL1AOC3CNR1
SCHEMBL4595927 0.79 THRB (0.44) THRBTHRATSHRCNR2
SCHEMBL5450041 0.79 AOC3 (0.36) KDM4EAOC3CYP2C9
SCHEMBL8038185 0.79 THRB (0.42) KDM4EKMT2ATHRBTHRATSHR
SCHEMBL8038199 0.78 THRA (0.43) KDM4EKMT2AL3MBTL1THRBTHRA
SCHEMBL9572563 0.78 AOC3 (0.43) KDM4EKMT2AL3MBTL1AOC3CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000079312-A1 HIGH REFRACTIVE INDEX COMPOSITIONS FOR OPHTHALMIC IMPLANTS BAUSCH & LOMB SURGICAL, INC. (US) 2000-12-28 WO claimed
WO-2000079312-A1 HIGH REFRACTIVE INDEX COMPOSITIONS FOR OPHTHALMIC IMPLANTS BAUSCH & LOMB SURGICAL, INC. (US) 2000-12-28 WO disclosed