SCHEMBL4034159

SCHEMBL4034159

Cc1ccc(-c2onc(C)c2N(C(=O)O)C(C)c2ccccc2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.44
LPAR3 Q9UBY5 4/20 0.44
LPAR2 Q9HBW0 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 2/20 0.35
IP6K1 Q92551 1/20 0.35
IP6K3 Q96PC2 1/20 0.35
IP6K2 Q9UHH9 1/20 0.35
CTSA P10619 2/20 0.35
TRPA1 O75762 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33

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
SCHEMBL4034108 0.94 LPAR1 (0.44) LPAR1LPAR3LPAR2SMN1; SMN2MAPT
SCHEMBL4032476 0.92 LPAR1 (0.43) LPAR1LPAR3LPAR2SMN1; SMN2MAPT
SCHEMBL15437576 0.92 LPAR1 (0.43) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL4032913 0.90 LPAR1 (0.42) LPAR1LPAR3LPAR2SMN1; SMN2MAPT
SCHEMBL4034499 0.90 LPAR1 (0.48) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL4033894 0.90 LPAR1 (0.44) LPAR1LPAR3LPAR2MAPTMEN1
SCHEMBL4036790 0.89 TRPA1 (0.46) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL4028781 0.89 LPAR1 (0.42) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL4035115 0.89 IP6K1 (0.40) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL15437794 0.88 LPAR1 (0.41) LPAR1LPAR3LPAR2MAPTKMT2A

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
EP-1258484-B1 NOVEL ISOXAZOLE AND THIAZOLE COMPOUNDS AND USE THEREOF AS DRUGS KYOWA HAKKO KIRIN CO LTD (JP) 2009-01-14 EP claimed