SCHEMBL7388534

SCHEMBL7388534

COc1ccc(Oc2c(CC(C(=O)O)c3ccncc3)sc3cc(OC)c(OC)cc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 8/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ CCKAR P32238 7/20 0.38
▸ STING1 Q86WV6 1/20 0.36
▸ ICAM1 P05362 1/20 0.36
▸ SELE P16581 1/20 0.36
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35

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
SCHEMBL8176254 0.91 L3MBTL1 (0.41) L3MBTL1CCKARSTING1
SCHEMBL8180219 0.90 SERPINE1 (0.42) SERPINE1L3MBTL1ICAM1SELECCNC
SCHEMBL8176541 0.90 SERPINE1 (0.40) SERPINE1L3MBTL1STING1ICAM1SELE
SCHEMBL7394624 0.76 STING1 (0.50) SERPINE1L3MBTL1STING1
SCHEMBL7395401 0.75 L3MBTL1 (0.51) SERPINE1L3MBTL1STING1ICAM1SELE
SCHEMBL7431728 0.73 ALDH1A1 (0.46) SERPINE1
SCHEMBL7395385 0.73 L3MBTL1 (0.46) SERPINE1L3MBTL1STING1ICAM1SELE
SCHEMBL7392946 0.72 L3MBTL1 (0.43) SERPINE1L3MBTL1STING1ICAM1SELE
SCHEMBL7394439 0.72 L3MBTL1 (0.43) SERPINE1L3MBTL1STING1ICAM1SELE
SCHEMBL8167415 0.72 L3MBTL1 (0.44) SERPINE1L3MBTL1STING1ICAM1SELE

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
Send feedback