SCHEMBL11487522

SCHEMBL11487522

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

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DNMT3A Q9Y6K1 1/20 0.75
HDAC1 Q13547 2/20 0.72
HDAC6 Q9UBN7 2/20 0.72
NLRP3 Q96P20 3/20 0.68

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
SCHEMBL11474785 0.97 DNMT3A (0.73) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL11471953 0.96 DNMT3A (0.72) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL11481498 0.96 DNMT3A (0.72) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL11487290 0.96 DNMT3A (0.72) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL30381560 0.93 HDAC1 (0.79) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL11481071 0.93 HDAC1 (0.79) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL11356587 0.88 DNMT3A (0.78) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL11489672 0.88 HDAC1 (0.78) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL8261934 0.87 DNMT3A (0.84) DNMT3AHDAC1HDAC6NLRP3
SCHEMBL3784241 0.87 DNMT3A (0.80) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4238506-A SECONDARY OR TERTIARY AMIDE-SUBSTITUTED BOEHRINGER MANNHEIM GMBH (DE) 1980-12-09 US disclosed
US-4113871-A HYPOGLYCEMICALLY AND HYPOLIPIDEMICALLY ACTIVE DERIVATIVES OF PHENYL-ALKANE-CARBOXYLIC ACIDS BOEHRINGER MANNHEIM GMBH (DE) 1978-09-12 US disclosed