SCHEMBL16493140

SCHEMBL16493140

COC(=O)c1cc(Br)cc(OCCCOS(C)(=O)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.43
▸ MAPT P10636 3/20 0.41
▸ RAB9A P51151 2/20 0.38
▸ PLA2G2A P14555 1/20 0.38
▸ KDM4E B2RXH2 5/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ MMP9 P14780 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ SMPD1 P17405 3/20 0.35
▸ ACLY P53396 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ HPGD P15428 2/20 0.35

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
SCHEMBL16493139 0.93 MAPT (0.45) NOTUMMAPTRAB9APLA2G2AKDM4E
SCHEMBL2533056 0.82 MAPT (0.39) MAPTRAB9APLA2G2AKDM4EALDH1A1
SCHEMBL16493155 0.82 NOTUM (0.48) NOTUMMAPTRAB9APLA2G2AKDM4E
SCHEMBL16898021 0.82 NOTUM (0.50) NOTUMMAPTRAB9APLA2G2AKDM4E
SCHEMBL30045094 0.80 NOTUM (0.49) NOTUMMAPTRAB9APLA2G2AKDM4E
SCHEMBL17823865 0.80 MAPT (0.51) NOTUMMAPTRAB9APLA2G2AKDM4E
SCHEMBL16493137 0.80 NOTUM (0.49) NOTUMMAPTRAB9APLA2G2AKDM4E
SCHEMBL12563864 0.80 MAPT (0.47) MAPTRAB9AKDM4EALDH1A1LMNA
SCHEMBL14812151 0.80 MAPT (0.47) MAPTRAB9AKDM4EALDH1A1TSHR
SCHEMBL4650137 0.79 MAPT (0.37) MAPTRAB9AKDM4EALDH1A1MMP9

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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