SCHEMBL4588604

SCHEMBL4588604

COC(=O)c1ccc(CC(O)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.56
CYP4A11 Q02928 2/20 0.51
TSHR P16473 1/20 0.50
CYP4F2 P78329 1/20 0.50
MAPT P10636 3/20 0.49
KDM6B O15054 1/20 0.49
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
SLC7A5 Q01650 1/20 0.47
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LDHA P00338 1/20 0.46
NPC1 O15118 1/20 0.45

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
SCHEMBL4589135 0.86 LOXL2 (0.56) LOXL2CYP4A11TSHRCYP4F2MAPT
SCHEMBL2692900 0.86 LDHA (0.62) LOXL2CYP4A11TSHRCYP4F2MAPT
SCHEMBL4587733 0.83 LOXL2 (0.53) LOXL2CYP4A11CYP4F2MAPTCA1
SCHEMBL23582892 0.83 LOXL2 (0.56) LOXL2CYP4A11TSHRCYP4F2MAPT
SCHEMBL27828327 0.83 LOXL2 (0.56) LOXL2CYP4A11TSHRCYP4F2MAPT
SCHEMBL22751983 0.83 LOXL2 (0.56) LOXL2CYP4A11TSHRCYP4F2MAPT
SCHEMBL5372603 0.83 LOXL2 (0.56) LOXL2CYP4A11TSHRCYP4F2MAPT
SCHEMBL13577833 0.83 LOXL2 (0.56) LOXL2CYP4A11TSHRCYP4F2MAPT
SCHEMBL5177723 0.82 LOXL2 (0.59) LOXL2CYP4A11TSHRCYP4F2MAPT
SCHEMBL1768596 0.81 SLC7A5 (0.68) LOXL2CYP4A11MAPTTDP1SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1973405-A2 HYDROXYALKYLARYLAMIDE DERIVATIVES Merck & Co., Inc. (US) 2008-10-01 EP disclosed
WO-2007087130-A2 HYDROXYALKYLARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 WO disclosed