SCHEMBL2415567

SCHEMBL2415567

COc1ccccc1CN(Cc1ccc(-c2ccc(O)c(OC(=O)O)c2)cc1)C(=O)c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
TSHR P16473 4/20 0.42
LPAR1 Q92633 8/20 0.41
LPAR5 Q9H1C0 6/20 0.41
TAS2R14 Q9NYV8 2/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
STAT3 P40763 1/20 0.40
HTT P42858 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
SCHEMBL2414650 0.89 HDAC1 (0.46) MEN1KMT2ATSHRLPAR1LPAR5
SCHEMBL2415565 0.88 STAT3 (0.51) MEN1KMT2ABCHEACHETSHR
SCHEMBL2414588 0.87 LPAR1 (0.48) MEN1KMT2ATSHRLPAR1LPAR5
SCHEMBL2412124 0.85 MEN1 (0.41) MEN1KMT2ALPAR1LPAR5ALDH1A1
SCHEMBL2415460 0.85 ROCK1 (0.42) LPAR1LPAR5KDM4ESTAT3
SCHEMBL2414646 0.81 LPAR1 (0.46) MEN1KMT2ATSHRLPAR1LPAR5
SCHEMBL2414340 0.79 LPAR1 (0.55) KMT2ATSHRLPAR1LPAR5ALDH1A1
SCHEMBL2411428 0.77 LPAR1 (0.49) KMT2ATSHRLPAR1LPAR5ALDH1A1
SCHEMBL2412850 0.76 HPGD (0.53) TSHRALDH1A1
SCHEMBL2414586 0.75 LPAR1 (0.55) MEN1KMT2ATSHRLPAR1LPAR5

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