SCHEMBL11472467

SCHEMBL11472467

CC(=O)N(C)CCc1ccc(CCC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.53
KEAP1 Q14145 1/20 0.52
FFAR4 Q5NUL3 2/20 0.47
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44

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
SCHEMBL2093066 0.83 TAAR1 (0.57) KMT2AALDH1A1
SCHEMBL11473695 0.82 ALDH1A1 (0.50) L3MBTL1KMT2AALDH1A1
SCHEMBL11474307 0.81 HRH3 (0.43) LMNAALDH1A1
Hydrochloric Acid SCHEMBL6477285 0.81 TAAR1 (0.55) KMT2AALDH1A1
SCHEMBL11481171 0.80 KMT2A (0.53) LMNAHSD17B10KMT2AALDH1A1
SCHEMBL18773733 0.80 AOC3 (0.56) LMNAL3MBTL1KMT2AALDH1A1
SCHEMBL21592421 0.80 ALDH1A1 (0.47) LMNAHSD17B10KMT2AALDH1A1
SCHEMBL6411856 0.80 TAAR1 (0.60) KMT2A
SCHEMBL69746 0.78 FFAR1 (0.81) FFAR1KEAP1FFAR4LMNAL3MBTL1
SCHEMBL14412444 0.77 AOC3 (0.59) KMT2AALDH1A1

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