SCHEMBL7188348

SCHEMBL7188348

COc1cccc(Cn2c(C(=O)O)c(N)c3ccccc32)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 3/20 0.64
EDNRA P25101 3/20 0.64
CCR2 P41597 2/20 0.54
FABP4 P15090 1/20 0.52
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
YWHAH Q04917 1/20 0.51
PLA2G2A P14555 3/20 0.50
FOLH1 Q04609 3/20 0.50
TP53 P04637 2/20 0.50
POLB P06746 1/20 0.50
TSPO P30536 1/20 0.50
MAPT P10636 2/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL6307109 0.86 EDNRB (0.64) EDNRBEDNRACCR2FABP4KMT2A
SCHEMBL28283556 0.84 FOLH1 (0.62) EDNRBEDNRACCR2KMT2AALDH1A1
SCHEMBL27505541 0.81 F10 (0.54) EDNRBEDNRAKMT2AALDH1A1PLA2G2A
SCHEMBL29093447 0.79 KMT2A (0.62) EDNRBEDNRAKMT2AALDH1A1TP53
SCHEMBL30616062 0.79 KMT2A (0.62) EDNRBEDNRAKMT2AALDH1A1TP53
SCHEMBL13062129 0.79 HCAR3 (0.55) EDNRBEDNRACCR2FABP4KMT2A
SCHEMBL6632096 0.78 EDNRA (1.00) EDNRBEDNRACCR2KMT2AYWHAH
SCHEMBL21365454 0.77 P2RX4 (0.72) KMT2AALDH1A1TP53POLBTSPO
SCHEMBL27746490 0.76 EDNRB (0.53) EDNRBEDNRACCR2FABP4KMT2A
SCHEMBL13015139 0.76 P2RX4 (0.59) EDNRBEDNRACCR2KMT2AALDH1A1

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-1341761-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-$g(g) BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-10 EP disclosed
WO-2002030895-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-η BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 WO disclosed