SCHEMBL16493155

SCHEMBL16493155

COC(=O)c1cc(Br)cc(OCCCO)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.48
▸ MAPT P10636 2/20 0.46
▸ CYP4A11 Q02928 4/20 0.43
▸ CYP4F2 P78329 3/20 0.42
▸ PLA2G2A P14555 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ POLB P06746 2/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ SMPD1 P17405 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ XDH P47989 1/20 0.39
▸ GFER P55789 1/20 0.39

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
SCHEMBL16493137 0.92 NOTUM (0.49) NOTUMMAPTCYP4A11CYP4F2PLA2G2A
SCHEMBL30045094 0.92 NOTUM (0.49) NOTUMMAPTCYP4A11CYP4F2PLA2G2A
SCHEMBL16898021 0.88 NOTUM (0.50) NOTUMMAPTPLA2G2ARAB9APOLB
SCHEMBL17823865 0.86 MAPT (0.51) NOTUMMAPTPLA2G2ARAB9APOLB
SCHEMBL26146688 0.85 NOTUM (0.48) NOTUMMAPTPLA2G2ARAB9APOLB
SCHEMBL16397245 0.84 NOTUM (0.53) NOTUMMAPTRAB9APOLBCA12
SCHEMBL17508794 0.83 PLA2G2A (0.53) MAPTCYP4A11CYP4F2PLA2G2ARAB9A
SCHEMBL30938045 0.82 ALDH1A1 (0.53) NOTUMMAPTKDM4ELMNAALDH1A1
SCHEMBL16493140 0.82 NOTUM (0.43) NOTUMMAPTPLA2G2ARAB9APOLB
SCHEMBL19127993 0.81 NOTUM (0.55) NOTUMMAPTPLA2G2ARAB9APOLB

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
WO-2015022631-A1 SUBSTITUTED BIPHENYL COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2015-02-19 — — WO disclosed
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