SCHEMBL12465660

SCHEMBL12465660

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 8/20 0.46
HPGD P15428 5/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 2/20 0.45
LPAR1 Q92633 2/20 0.45
LPAR3 Q9UBY5 1/20 0.45
TSHR P16473 1/20 0.44
NPC1 O15118 1/20 0.44
CETP P11597 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NAMPT P43490 1/20 0.42
MEN1 O00255 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
SCHEMBL12465757 0.87 MAPT (0.56) MAPTKDM4EALDH1A1HPGDTP53
SCHEMBL12465777 0.80 MAPT (0.52) MAPTKDM4EALDH1A1RAB9ALPAR1
SCHEMBL12465976 0.80 MAPT (0.52) MAPTKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL12465722 0.80 MAPT (0.60) MAPTKDM4EALDH1A1HPGDTP53
SCHEMBL15451616 0.79 LPAR1 (0.68) MAPTKDM4EALDH1A1HPGDLPAR1
SCHEMBL25401241 0.79 MAPT (0.57) MAPTKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL12465689 0.77 MAPT (0.51) MAPTKDM4EALDH1A1HPGDTP53
SCHEMBL4037272 0.77 MAPT (0.54) MAPTKDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL12465621 0.77 MAPT (0.56) MAPTKDM4EALDH1A1HPGDTP53
SCHEMBL12466067 0.76 MAPT (0.61) MAPTKDM4EALDH1A1RAB9ASMN1; SMN2

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