SCHEMBL11356587

SCHEMBL11356587

COc1ccc(Cl)cc1C(=O)NCCc1ccc(CC(=O)O)cc1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 1/20 0.78
HDAC1 Q13547 2/20 0.72
HDAC6 Q9UBN7 2/20 0.72
NLRP3 Q96P20 3/20 0.71

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
SCHEMBL1153738 0.97 DNMT3A (0.73) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL11481071 0.91 HDAC1 (0.79) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL30381560 0.91 HDAC1 (0.79) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL11370458 0.89 DNMT3A (0.77) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL8261934 0.89 DNMT3A (0.84) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL3784241 0.89 DNMT3A (0.80) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL11487522 0.88 DNMT3A (0.75) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL11360767 0.88 DNMT3A (0.61) DNMT3AHDAC1HDAC6NLRP3
Meglitinide SCHEMBL29829482 0.88 DNMT3A (0.78) DNMT3AHDAC1HDAC6NLRP3
Meglitinide SCHEMBL37926 0.88 DNMT3A (0.78) DNMT3AHDAC1HDAC6NLRP3

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
US-4207341-A Hypoglycaemically and hypolipidaemically active derivatives of phenylacetic acid BOEHRINGER-MANNHEIM GMBH (DE) 1980-06-10 US claimed
US-4278680-A Hypoglycaemically and hypolipidaemically active derivatives of phenylacetic acid BOEHRINGER MANNHEIM GMBH (DE) 1981-07-14 US disclosed
US-4207341-A Hypoglycaemically and hypolipidaemically active derivatives of phenylacetic acid BOEHRINGER-MANNHEIM GMBH (DE) 1980-06-10 US disclosed