SCHEMBL7004612

SCHEMBL7004612

CCOC(=O)c1[nH]c2c(N)ccc(Cc3cccc(OC)c3)c2c1-c1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
HPGD P15428 4/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 2/20 0.44
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
TUBB4A P04350 2/20 0.40
TUBB P07437 2/20 0.40
TUBA3C P0DPH7 2/20 0.40
TUBA1B P68363 2/20 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
SCHEMBL7003114 0.86 FBP1 (0.45) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL7006743 0.78 TUBB4A (0.44) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL7004935 0.78 MAPT (0.44) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL7002629 0.78 GABRA1 (0.44) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL7006235 0.78 ALDH1A1 (0.43) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL7003912 0.75 LTB4R2 (0.43) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL9023953 0.73 HSD17B10 (0.49) MAPTALDH1A1KDM4EHPGDMEN1
SCHEMBL7005935 0.69 ALOX5 (0.45) MAPTALDH1A1KDM4EHPGDNPC1
SCHEMBL7005705 0.68 MAPT (0.49) MAPTKDM4EHPGDNPC1RAB9A
SCHEMBL8803915 0.68 HSD17B10 (0.47) MAPTALDH1A1KDM4EHPGDMEN1

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