SCHEMBL7002629

SCHEMBL7002629

CCOC(=O)c1[nH]c2cccc(Cc3cccc(OCc4ccccc4)c3)c2c1-c1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.44
GABRG2 P18507 4/20 0.44
GABRB3 P28472 4/20 0.44
GABRA5 P31644 4/20 0.44
GABRA3 P34903 4/20 0.44
GABRA2 P47869 4/20 0.44
HPGD P15428 4/20 0.44
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.44
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 0.44
GABRG1 Q8N1C3 2/20 0.44
GABRG3 Q99928 2/20 0.44
GABRQ Q9UN88 2/20 0.44
TUBB4A P04350 2/20 0.42

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
SCHEMBL7006235 0.88 ALDH1A1 (0.43) HPGDMAPTALDH1A1TUBB4ATUBB
SCHEMBL7004935 0.87 MAPT (0.44) HPGDMAPTALDH1A1TUBB4ATUBB
SCHEMBL7003912 0.83 LTB4R2 (0.43) HPGDMAPTALDH1A1TUBB4ATUBB
SCHEMBL7006743 0.81 TUBB4A (0.44) HPGDMAPTALDH1A1TUBB4ATUBB
SCHEMBL9023953 0.81 HSD17B10 (0.49) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL7004612 0.78 MAPT (0.44) HPGDMAPTALDH1A1TUBB4ATUBB
SCHEMBL8540181 0.76 ALDH1A1 (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7003114 0.75 FBP1 (0.45) HPGDMAPTALDH1A1TUBB4ATUBB
SCHEMBL7005705 0.74 MAPT (0.49) HPGDMAPTTUBB4ATUBBTUBA3C
SCHEMBL9023820 0.74 MAPT (0.46) HPGDMAPTALDH1A1TUBB4ATUBB

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