SCHEMBL12679883

SCHEMBL12679883

C=C(O)CCCCCCCC(=O)N(C)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HTT P42858 1/20 0.42
FOLH1 Q04609 1/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
MLYCD O95822 1/20 0.37
ALOX5 P09917 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
GAA P10253 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 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
SCHEMBL12679919 1.00 ALDH1A1 (0.42) ALDH1A1HTTFOLH1RAB9ASMN1; SMN2
SCHEMBL12679903 0.95 FOLH1 (0.40) ALDH1A1HTTFOLH1RAB9ASMN1; SMN2
SCHEMBL1114717 0.87 FOLH1 (0.46) ALDH1A1HTTFOLH1RAB9ASMN1; SMN2
SCHEMBL1114866 0.87 FOLH1 (0.46) ALDH1A1HTTFOLH1RAB9ASMN1; SMN2
SCHEMBL1114990 0.87 FOLH1 (0.46) ALDH1A1HTTFOLH1RAB9ASMN1; SMN2
SCHEMBL1114975 0.87 FOLH1 (0.46) ALDH1A1HTTFOLH1RAB9ASMN1; SMN2
SCHEMBL12679928 0.86 DRD4 (0.42) ALDH1A1HTTFOLH1RAB9ALMNA
SCHEMBL12679864 0.86 DRD4 (0.42) ALDH1A1HTTFOLH1RAB9ALMNA
SCHEMBL12679935 0.86 FOLH1 (0.52) ALDH1A1FOLH1LMNAKDM4EPOLB
SCHEMBL12679939 0.86 DRD4 (0.42) ALDH1A1HTTFOLH1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273794-B2 7-[isopropyl(phenyl)amino]-7-oxoheptanoic acid, 3-(2-Hydroxy-benzoylamino)-butyric acid, 4-Oxo-4-phenyl-butyric acid, 10-(2-Hydroxy-phenyl)-10-oxo-decanoic acid, 4-(4-Methoxy-phenyl)-4-oxo-butyric acid: promoting the absorption of the active agent EMISPHERE TECHNOLOGIES, INC. (US) 2012-09-25 US disclosed