SCHEMBL2415460

SCHEMBL2415460

O=C(O)Oc1cc(-c2ccc(CN(Cc3ccc(F)cc3)C(=O)c3ccc(Br)cc3)cc2)ccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.42
LPAR1 Q92633 6/20 0.40
LPAR5 Q9H1C0 6/20 0.40
MCHR1 Q99705 2/20 0.40
STAT3 P40763 1/20 0.40
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BCL2 P10415 1/20 0.38
SLC2A1 P11166 2/20 0.37
MAPT P10636 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL2414650 0.91 HDAC1 (0.46) LPAR1LPAR5STAT3LMNASLC2A1
SCHEMBL2412124 0.89 MEN1 (0.41) LPAR1LPAR5STAT3LMNASLC2A1
SCHEMBL2415567 0.85 MEN1 (0.43) LPAR1LPAR5STAT3KDM4E
SCHEMBL2415459 0.84 STAT3 (0.51) ROCK1LPAR1MCHR1STAT3KDM4E
SCHEMBL2413110 0.83 GABRA1 (0.47)
SCHEMBL2411428 0.82 LPAR1 (0.49) LPAR1LPAR5STAT3LMNASLC2A1
SCHEMBL2414721 0.77 SNCA (0.48) MAPT
SCHEMBL2412850 0.75 HPGD (0.53) LMNAMAPT
SCHEMBL2414649 0.74 STAT3 (0.58) LPAR1STAT3HDAC3HDAC1HDAC7
SCHEMBL2414340 0.74 LPAR1 (0.55) LPAR1LPAR5STAT3KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828107-B1 HYDROXYBIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE SANOFI AVENTIS DEUTSCHLAND (DE) 2011-09-28 EP disclosed
EP-1828107-A1 HYDROXYBIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE Sanofi-Aventis Deutschland GmbH (DE) 2007-09-05 EP disclosed
WO-2006063697-A1 HYDROXYBIPHENYL CARBOXYLIC ACIDS AND DERIVATIVES, METHOD FOR PRODUCING THE SAME AND THEIR USE SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-06-22 WO disclosed