SCHEMBL4397413

SCHEMBL4397413

Cc1ccc(Br)cc1Cn1c(C(=O)O)c(-c2ccc(C(C)(C)C)cc2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.49
USP2 O75604 1/20 0.49
EDNRB P24530 3/20 0.46
EDNRA P25101 2/20 0.46
MAPT P10636 1/20 0.42
CCR9 P51686 1/20 0.41
POLB P06746 1/20 0.41
FOLH1 Q04609 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
PPARG P37231 4/20 0.38
MAPK8 P45983 2/20 0.38
PTGER1 P34995 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
SCHEMBL2806158 0.89 KMT2A (0.45) SERPINE1MEN1KMT2AALDH1A1USP2
SCHEMBL2810307 0.89 SERPINE1 (0.41) SERPINE1MEN1KMT2AALDH1A1USP2
SCHEMBL2808105 0.88 SERPINE1 (0.43) SERPINE1MEN1KMT2AALDH1A1USP2
SCHEMBL2807914 0.87 SERPINE1 (0.54) SERPINE1MEN1KMT2AALDH1A1USP2
SCHEMBL2810186 0.87 SERPINE1 (0.54) SERPINE1MEN1KMT2AALDH1A1USP2
SCHEMBL14270697 0.85 KMT2A (0.53) SERPINE1MEN1KMT2AALDH1A1USP2
SCHEMBL2810361 0.85 SERPINE1 (0.51) SERPINE1MEN1KMT2AALDH1A1USP2
SCHEMBL13168627 0.85 KMT2A (0.40) SERPINE1MEN1KMT2AALDH1A1USP2
SCHEMBL2807174 0.84 SERPINE1 (0.61) SERPINE1EDNRBEDNRACCR9FOLH1
SCHEMBL2813528 0.83 SERPINE1 (0.50) SERPINE1MEN1KMT2AALDH1A1USP2

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-2081894-A1 1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVES USEFUL AS PPAR MODULATORS SmithKline Beecham Corporation (US) 2009-07-29 EP disclosed
WO-2008028118-A1 1H-INDOLE-2-CARBOXYLIC ACID DERIVATIVES USEFUL AS PPAR MODULATORS SMITHKLINE BEECHAM CORPORAITON (US) 2008-03-06 WO disclosed