SCHEMBL2412124

SCHEMBL2412124

Cc1ccc(CN(Cc2ccc(-c3ccc(O)c(OC(=O)O)c3)cc2)C(=O)c2ccc(Br)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
STAT3 P40763 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
LSS P48449 2/20 0.38
MCL1 Q07820 1/20 0.38
MAPT P10636 1/20 0.38
SLC2A1 P11166 1/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC3 O15379 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
CYP1A2 P05177 1/20 0.37
HSP90AA1 P07900 1/20 0.37

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) MEN1KMT2ASTAT3ALDH1A1SMN1; SMN2
SCHEMBL2415460 0.89 ROCK1 (0.42) STAT3LMNALPAR1LPAR5MAPT
SCHEMBL2415567 0.85 MEN1 (0.43) MEN1KMT2ASTAT3ALDH1A1SMN1; SMN2
SCHEMBL2412122 0.84 MCL1 (0.59) MEN1KMT2ASTAT3ALDH1A1SMN1; SMN2
SCHEMBL2410849 0.83 GABRA1 (0.49) MEN1KMT2AALDH1A1MAPT
SCHEMBL2414194 0.78 CNR2 (0.44) MEN1KMT2ALPAR1LPAR5MCL1
SCHEMBL2414340 0.76 LPAR1 (0.55) KMT2ASTAT3ALDH1A1SMN1; SMN2LMNA
SCHEMBL2412850 0.75 HPGD (0.53) ALDH1A1LMNAMAPT
SCHEMBL2414649 0.74 STAT3 (0.58) MEN1KMT2ASTAT3LPAR1MCL1
SCHEMBL2411428 0.74 LPAR1 (0.49) KMT2ASTAT3ALDH1A1SMN1; SMN2LMNA

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
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