SCHEMBL7332669

SCHEMBL7332669

COc1ccc(OC)c(-c2cc(OC)cc(S(=O)(=O)Cl)c2OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ TP53 P04637 1/20 0.44
▸ HDAC4 P56524 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ TRPV4 Q9HBA0 1/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ VDR P11473 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 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
SCHEMBL27549293 0.82 HDAC4 (0.54) L3MBTL1TP53HDAC4HDAC2HDAC8
SCHEMBL29482636 0.81 L3MBTL1 (0.64) L3MBTL1TP53TRPV4KMT2AALDH1A1
SCHEMBL407215 0.81 L3MBTL1 (0.64) L3MBTL1TP53TRPV4KMT2AALDH1A1
SCHEMBL7342191 0.79 TRPV4 (0.58) L3MBTL1TP53TRPV4KMT2AALDH1A1
SCHEMBL196223 0.75 CA12 (0.68) L3MBTL1HDAC4HDAC2HDAC8KMT2A
SCHEMBL29482639 0.74 TRPV4 (0.68) L3MBTL1TP53TRPV4ALDH1A1GAA
SCHEMBL74997 0.74 TRPV4 (0.68) L3MBTL1TP53TRPV4ALDH1A1GAA
SCHEMBL289253 0.71 TRPV4 (0.49) L3MBTL1TP53TRPV4KMT2AALDH1A1
SCHEMBL29651902 0.71 TRPV4 (0.49) L3MBTL1TP53TRPV4KMT2AALDH1A1
SCHEMBL28188560 0.71 ALDH1A1 (0.48) L3MBTL1TP53TRPV4ALDH1A1NPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997046207-A2 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-12-11 — — WO disclosed
EP-0804464-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-11-05 — — EP disclosed
WO-1996018644-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1996-06-20 — — WO disclosed
Send feedback