SCHEMBL11276885

SCHEMBL11276885

NCc1ccc2c(c1)CCCC(=O)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
RAD52 P43351 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
CASP7 P55210 1/20 0.38
SMAD3 P84022 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TPSAB1 Q15661 1/20 0.38
CYP2A6 P11509 1/20 0.37
RXRB P28702 2/20 0.36
CA12 O43570 1/20 0.36

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
SCHEMBL29673223 0.83 KMT2A (0.50) KMT2ARAD52RXFP1GAAALDH1A1
SCHEMBL7410245 0.83 KMT2A (0.50) KMT2ARAD52RXFP1GAAALDH1A1
Hydrochloric Acid SCHEMBL5957935 0.81 KMT2A (0.53) KMT2ARAD52RXFP1GAAALDH1A1
SCHEMBL5504129 0.81 KMT2A (0.47) KMT2ARAD52RXFP1GAAALDH1A1
Hydrochloric Acid SCHEMBL5957846 0.79 KMT2A (0.50) KMT2ARAD52RXFP1GAAALDH1A1
SCHEMBL5957796 0.79 KMT2A (0.46) KMT2ARAD52RXFP1GAAALDH1A1
Hydrochloric Acid SCHEMBL6259121 0.77 KMT2A (0.48) KMT2ARAD52RXFP1GAAALDH1A1
SCHEMBL12430513 0.73 NPC1 (0.42) KMT2AALDH1A1TP53MEN1HTT
SCHEMBL12430501 0.73 METAP1 (0.44) ALDH1A1MAPTLMNAL3MBTL1CYP2A6
SCHEMBL12430519 0.73 CYP2A6 (0.41) KMT2AALDH1A1MEN1CYP2A6CA12

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-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