SCHEMBL11272172

SCHEMBL11272172

NCc1ccc2c(c1)CCCCC2=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 14/20 0.53
MAOB P27338 14/20 0.53
PRKCI P41743 1/20 0.53
HSD17B1 P14061 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP2A6 P11509 1/20 0.46
GRM5 P41594 1/20 0.45
BAZ2B Q9UIF8 1/20 0.44
RAD52 P43351 1/20 0.43
KMT2A Q03164 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL27522633 0.85 HSD17B1 (0.65) MAOAMAOBPRKCIHSD17B1
SCHEMBL7507446 0.81 MAOA (0.53) MAOAMAOBPRKCIHSD17B1CYP2A6
SCHEMBL26016734 0.81 MAOA (0.58) MAOAMAOBPRKCIHSD17B1CASP1
SCHEMBL17486940 0.80 MAOA (0.61) MAOAMAOBPRKCIHSD17B1CYP2A6
SCHEMBL14013915 0.80 MAOA (0.56) MAOAMAOBPRKCIHSD17B1CYP2A6
SCHEMBL5957796 0.78 KMT2A (0.46) CASP1CASP7HSD17B10RAD52KMT2A
SCHEMBL23162895 0.77 AKR1B1 (0.61) MAOAMAOBPRKCIHSD17B1BAZ2B
SCHEMBL7640635 0.77 MAOA (0.53) MAOAMAOBPRKCIHSD17B1CYP2A6
SCHEMBL3204625 0.77 CASP1 (0.78) MAOAMAOBPRKCIHSD17B1CASP1
Hydrochloric Acid SCHEMBL6259121 0.76 KMT2A (0.48) CASP1CASP7HSD17B10RAD52KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0003532-B1 OMEGA-(2-(N-LOWER ALKYL-BENZAMIDO)-PHENYL)-ALKANOIC ACIDS, THEIR USE AND PREPARATION, AND MEDICAMENTS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-04-28 EP disclosed
US-4322439-A ω-[2-(N-Lower alkyl-benzamido)-phenyl]-alkanoic acids, their use, and medicaments containing them BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-03-30 US disclosed
WO-1979000586-A1 W-(2-N-LOWER ALKYL-BENZAMIDO)-PHENYL)-ALKANOIC ACIDS,THEIR USE AND PREPARATION,AND MEDICAMENTS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1979-08-23 WO disclosed
EP-0003532-A1 Omega-(2-(N-lower alkyl-benzamido)-phenyl)-alkanoic acids, their use and preparation, and medicaments containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1979-08-22 EP disclosed