SCHEMBL11696381

SCHEMBL11696381

CCCCOc1ccc(C=Nc2ccc(F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 10/20 0.55
▸ GAA P10253 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ CYP2C9 P11712 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP19A1 P11511 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ TSHR P16473 1/20 0.47
▸ PTGS2 P35354 2/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ PTGS1 P23219 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
SCHEMBL9946939 1.00 FAAH (0.55) FAAHGAAALDH1A1LMNACYP2C9
SCHEMBL14573137 1.00 FAAH (0.55) FAAHGAAALDH1A1LMNACYP2C9
SCHEMBL12753930 0.92 GAA (0.61) GAAALDH1A1LMNACYP2C9CYP1A2
SCHEMBL1876276 0.92 GAA (0.61) GAAALDH1A1LMNACYP2C9CYP1A2
SCHEMBL2451978 0.89 GAA (0.58) FAAHGAAALDH1A1LMNACYP2C9
SCHEMBL2451979 0.89 GAA (0.58) FAAHGAAALDH1A1LMNACYP2C9
SCHEMBL2451656 0.88 GAA (0.57) FAAHGAAALDH1A1LMNACYP2C9
SCHEMBL2451388 0.88 GAA (0.57) FAAHGAAALDH1A1LMNACYP2C9
SCHEMBL11693886 0.88 FAAH (0.53) FAAHGAAALDH1A1CYP1A2CYP2C19
SCHEMBL2451659 0.88 GAA (0.57) FAAHGAAALDH1A1LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4018507-A Liquid crystal device, composition therefor, and method for preparing the composition AMERICAN MICRO-SYSTEMS, INC. (US) 1977-04-19 — — US claimed
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