SCHEMBL7444160

SCHEMBL7444160

COc1ccc(Oc2c(CNc3ccc(C(=O)O)cc3)sc3cc(OC)c(OC)cc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.48
▸ CA2 P00918 3/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ TUBB4A P04350 2/20 0.41
▸ TUBB P07437 2/20 0.41
▸ TUBB4B P68371 2/20 0.41
▸ TUBB3 Q13509 2/20 0.41
▸ TUBB2A Q13885 2/20 0.41
▸ TUBB8 Q3ZCM7 2/20 0.41
▸ TUBB6 Q9BUF5 2/20 0.41
▸ TUBB2B Q9BVA1 2/20 0.41
▸ TUBB1 Q9H4B7 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TUBA3C P0DPH7 1/20 0.41
▸ TUBA1B P68363 1/20 0.41
▸ TUBA4A P68366 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
SCHEMBL8175655 0.99 CA1 (0.47) CA1CA2L3MBTL1ALDH1A1KDM4E
SCHEMBL8175651 0.90 CA1 (0.43) CA1CA2L3MBTL1ALDH1A1KDM4E
SCHEMBL7393277 0.89 PPARA (0.52) L3MBTL1ALDH1A1KDM4EGAAMAPT
SCHEMBL8181521 0.88 PPARA (0.51) L3MBTL1ALDH1A1KDM4EGAAMAPT
SCHEMBL7431686 0.82 AKR1C3 (0.43) L3MBTL1ALDH1A1KDM4EGAAMAPT
SCHEMBL8181516 0.82 PPARA (0.42) CA1CA2L3MBTL1ALDH1A1KDM4E
SCHEMBL8174950 0.81 AKR1C3 (0.43) L3MBTL1ALDH1A1KDM4EGAAMAPT
SCHEMBL7395385 0.81 L3MBTL1 (0.46) L3MBTL1TUBB4ATUBBTUBB4BTUBB3
SCHEMBL7399212 0.78 L3MBTL1 (0.43) L3MBTL1TUBB4ATUBBTUBB4BTUBB3
SCHEMBL7394624 0.77 STING1 (0.50) L3MBTL1ALDH1A1KDM4EGAATUBB4A

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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