SCHEMBL8068581

SCHEMBL8068581

BC(Br)c1cccc(C(=O)OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.49
TSHR P16473 1/20 0.48
CYP4F2 P78329 2/20 0.47
CYP4A11 Q02928 2/20 0.47
RAB9A P51151 3/20 0.46
POLB P06746 1/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
SLC7A5 Q01650 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CASR P41180 1/20 0.45
NPC1 O15118 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL11229041 0.86 TSHR (0.52) LOXL2TSHRCYP4F2CYP4A11RAB9A
SCHEMBL935780 0.86 TSHR (0.52) LOXL2TSHRCYP4F2CYP4A11RAB9A
SCHEMBL8068576 0.86 TSHR (0.52) LOXL2TSHRCYP4F2CYP4A11RAB9A
SCHEMBL243660 0.85 TSHR (0.50) LOXL2TSHRCYP4F2CYP4A11RAB9A
SCHEMBL10609523 0.83 TSHR (0.52) LOXL2TSHRCYP4F2CYP4A11RAB9A
SCHEMBL307688 0.82 TSHR (0.56) LOXL2TSHRCYP4F2CYP4A11RAB9A
SCHEMBL8236993 0.82 SLC7A5 (0.48) LOXL2TSHRCYP4F2CYP4A11RAB9A
SCHEMBL84441 0.81 TSHR (0.53) LOXL2TSHRCYP4F2CYP4A11RAB9A
SCHEMBL4407209 0.81 TSHR (0.53) LOXL2TSHRCYP4F2CYP4A11RAB9A
SCHEMBL2650423 0.81 TSHR (0.53) LOXL2TSHRCYP4F2CYP4A11RAB9A

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-2008156817-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 WO disclosed