SCHEMBL11708595

SCHEMBL11708595

COc1ccc(C(=O)NCCc2ccc(-c3ccc(O)cc3)cc2)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.73
▸ NPC1 O15118 1/20 0.73
▸ CNR2 P34972 2/20 0.72
▸ TSHR P16473 1/20 0.67
▸ GAA P10253 1/20 0.62
▸ DNMT3A Q9Y6K1 1/20 0.60
▸ CYP3A4 P08684 2/20 0.58
▸ ROCK2 O75116 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ ROCK1 Q13464 1/20 0.58
▸ CA1 P00915 1/20 0.58
▸ CA2 P00918 1/20 0.58
▸ CA7 P43166 1/20 0.58
▸ CA9 Q16790 1/20 0.58
▸ CA14 Q9ULX7 1/20 0.58
▸ MAPT P10636 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ NR1H4 Q96RI1 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL4488518 0.88 GAA (0.79) RAB9ANPC1CNR2TSHRGAA
SCHEMBL4406752 0.85 CNR2 (0.94) RAB9ANPC1CNR2TSHRDNMT3A
SCHEMBL9312655 0.84 NPC1 (1.00) RAB9ANPC1TSHRGAACYP3A4
SCHEMBL4409626 0.84 CNR2 (0.84) RAB9ANPC1CNR2TSHRGAA
SCHEMBL4411452 0.84 CNR2 (1.00) RAB9ANPC1CNR2TSHR
SCHEMBL11706684 0.83 RAB9A (0.65) RAB9ANPC1GAAMAPTMEN1
SCHEMBL4411536 0.83 CNR2 (0.98) RAB9ANPC1CNR2TSHR
SCHEMBL4407912 0.83 CNR2 (0.98) RAB9ANPC1CNR2TSHR
SCHEMBL4414307 0.83 CNR2 (0.72) RAB9ANPC1CNR2TSHRGAA
SCHEMBL4552004 0.83 CNR2 (0.76) RAB9ANPC1CNR2TSHRGAA

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-4010279-A BIPHENYLOXY DERIVATIVES AND ANTIHYPERLIPIDEMIC USE BOEHRINGER INGELHEIM GMBH (DT) 1977-03-01 — — US disclosed
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