SCHEMBL7393277

SCHEMBL7393277

COc1ccc(Oc2c(CNc3cccc(C(=O)O)c3)sc3cc(OC)c(OC)cc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 6/20 0.52
▸ NPC1 O15118 4/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ MITF O75030 1/20 0.42
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ FFAR1 O14842 2/20 0.41
▸ CDC25B P30305 1/20 0.41
▸ GAA P10253 1/20 0.41

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
SCHEMBL8181521 0.99 PPARA (0.51) PPARANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL8181516 0.91 PPARA (0.42) PPARANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL7444160 0.89 CA1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL8175655 0.88 CA1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL8175651 0.82 CA1 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7431686 0.82 AKR1C3 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL8174950 0.81 AKR1C3 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7395385 0.79 L3MBTL1 (0.46) MEN1KMT2AL3MBTL1LMNAMAPT
SCHEMBL8174946 0.76 L3MBTL1 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL7431734 0.76 L3MBTL1 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E

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-0955299-B1 Benzothiophene, benzofurane and indole derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-03-13 — — EP disclosed
EP-0955299-A1 Benzothiophene, benzofurane and indole derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-11-10 — — EP disclosed
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