SCHEMBL12465621

SCHEMBL12465621

Cc1noc(-c2ccc(NC(=O)C(C)C)cc2)c1NC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
KDM4E B2RXH2 4/20 0.56
IP6K1 Q92551 1/20 0.56
IP6K3 Q96PC2 1/20 0.56
IP6K2 Q9UHH9 1/20 0.56
LPAR1 Q92633 4/20 0.52
LPAR3 Q9UBY5 2/20 0.52
RAB9A P51151 8/20 0.50
NPC1 O15118 6/20 0.50
POLB P06746 2/20 0.50
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
HSD17B10 Q99714 3/20 0.44
ABCC3 O15438 1/20 0.44
ABCC4 O15439 1/20 0.44
ABCB11 O95342 1/20 0.44
CYP2C8 P10632 1/20 0.44

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
SCHEMBL12465722 0.85 MAPT (0.60) MAPTKDM4ELPAR1LPAR3RAB9A
SCHEMBL25401241 0.83 MAPT (0.57) MAPTKDM4EIP6K1IP6K3IP6K2
SCHEMBL4037272 0.82 MAPT (0.54) MAPTKDM4EIP6K1IP6K3IP6K2
SCHEMBL12465757 0.82 MAPT (0.56) MAPTKDM4ELPAR1LPAR3RAB9A
SCHEMBL12466067 0.81 MAPT (0.61) MAPTKDM4EIP6K1IP6K3IP6K2
SCHEMBL2761636 0.80 MAPT (0.53) MAPTKDM4EIP6K1IP6K3IP6K2
SCHEMBL4035675 0.80 MAPT (0.67) MAPTKDM4EIP6K1IP6K3IP6K2
SCHEMBL12465748 0.80 MAPT (0.54) MAPTKDM4EIP6K1IP6K3IP6K2
SCHEMBL4034870 0.79 MAPT (0.52) MAPTKDM4ELPAR1LPAR3RAB9A
SCHEMBL12467498 0.79 MAPT (0.52) MAPTKDM4EIP6K1IP6K3IP6K2

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