SCHEMBL14822985

SCHEMBL14822985

CC[C@@H](CC(=O)O)NC(=O)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.60
NOX1 Q9Y5S8 2/20 0.60
RAB9A P51151 6/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
NPC1 O15118 5/20 0.57
PKM P14618 1/20 0.55
ALDH1A1 P00352 3/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
PABPC1 P11940 1/20 0.54
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53

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
SCHEMBL13409933 0.87 LTA4H (0.57) LTA4HNOX1RAB9ASMN1; SMN2NPC1
Acetic Acid SCHEMBL3681912 0.85 LTA4H (0.55) LTA4HNOX1RAB9ASMN1; SMN2NPC1
SCHEMBL14823033 0.85 CYP2C9 (0.64) LTA4HRAB9ASMN1; SMN2NPC1PKM
Acetic Acid SCHEMBL3681914 0.84 LTA4H (0.53) LTA4HNOX1RAB9ASMN1; SMN2NPC1
SCHEMBL4738368 0.83 LTA4H (0.65) LTA4HNOX1RAB9ASMN1; SMN2NPC1
SCHEMBL4738358 0.83 LTA4H (0.65) LTA4HNOX1RAB9ASMN1; SMN2NPC1
SCHEMBL14823052 0.81 S1PR1 (0.64) PKM
SCHEMBL14822987 0.81 PKM (0.54) RAB9ASMN1; SMN2NPC1PKMALDH1A1
SCHEMBL21295527 0.79 MEN1 (0.77) LTA4HNOX1RAB9ASMN1; SMN2NPC1
SCHEMBL14070079 0.79 NOX1 (0.58) LTA4HNOX1RAB9ASMN1; SMN2NPC1

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-8410150-B2 Inhibitors of carnitine palmitoyltransferase and treating cancer UNIVERSITY HEALTH NETWORK (CA) 2013-04-02 US disclosed