SCHEMBL12465757

SCHEMBL12465757

CCC(=O)Nc1ccc(-c2onc(C)c2NC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
KDM4E B2RXH2 3/20 0.56
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
LPAR1 Q92633 2/20 0.46
LPAR3 Q9UBY5 1/20 0.46
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
ATM Q13315 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL12465660 0.87 MAPT (0.51) MAPTKDM4ERAB9ANPC1LPAR1
SCHEMBL12465976 0.85 MAPT (0.52) MAPTKDM4ERAB9ANPC1LPAR1
SCHEMBL12465777 0.85 MAPT (0.52) MAPTKDM4ERAB9ANPC1LPAR1
SCHEMBL12465722 0.85 MAPT (0.60) MAPTKDM4ERAB9ANPC1LPAR1
SCHEMBL25401241 0.83 MAPT (0.57) MAPTKDM4ERAB9ANPC1LPAR1
SCHEMBL12465689 0.82 MAPT (0.51) MAPTKDM4ELPAR1LPAR3ALDH1A1
SCHEMBL12465748 0.82 MAPT (0.54) MAPTKDM4ERAB9ANPC1LPAR1
SCHEMBL4037272 0.82 MAPT (0.54) MAPTKDM4ERAB9ANPC1LPAR1
SCHEMBL12465621 0.82 MAPT (0.56) MAPTKDM4ERAB9ANPC1LPAR1
SCHEMBL12466067 0.81 MAPT (0.61) MAPTKDM4ERAB9ANPC1LPAR1

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
WO-2012100436-A1 COMPOUND AS ANTAGONIST OF LYSOPHOSPHATIDIC ACID RECEPTOR, COMPOSITION, AND USE THEREOF CUREGENIX INC. (CN) 2012-08-02 WO claimed
WO-2012100436-A1 COMPOUND AS ANTAGONIST OF LYSOPHOSPHATIDIC ACID RECEPTOR, COMPOSITION, AND USE THEREOF CUREGENIX INC. (CN) 2012-08-02 WO disclosed