SCHEMBL7005512

SCHEMBL7005512

COc1cccc(Cc2cccc3[nH]c(C(=O)O)c(-c4ccc(C(=O)NC5CCCC5)cc4)c23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.47
DRD4 P21917 2/20 0.45
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42
BRD4 O60885 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
MCHR1 Q99705 1/20 0.41
THRB P10828 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL7004694 0.97 MAPK14 (0.50) MAPK14DRD4DRD2HTR2ABRD4
SCHEMBL7004935 0.78 MAPT (0.44) ALDH1A1MAPTLMNAHTTMEN1
SCHEMBL7005705 0.72 MAPT (0.49) MAPTLMNAHTTMEN1HPGD
SCHEMBL6851233 0.71 MAPT (0.53) MAPK14DRD4DRD2HTR2ACNR1
SCHEMBL7005516 0.70 MEN1 (0.48) ALDH1A1MAPTPOLBLMNAPKM
SCHEMBL7002629 0.69 GABRA1 (0.44) ALDH1A1MAPTLMNAHTTMEN1
SCHEMBL1667825 0.68 RAB9A (0.73) ALDH1A1LMNAPKMMEN1HPGD
SCHEMBL7006743 0.67 TUBB4A (0.44) ALDH1A1MAPTPOLBLMNAHTT
SCHEMBL6855189 0.67 DRD4 (0.53) MAPK14DRD4DRD2HTR2AMAPT
SCHEMBL11241115 0.67 RAB9A (0.75) ALDH1A1LMNAPKMMEN1HPGD

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