SCHEMBL4028121

SCHEMBL4028121

Cc1ccc(-c2onc(C)c2N(C(=O)O)C(C)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.44
LPAR3 Q9UBY5 1/20 0.44
NPSR1 Q6W5P4 3/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 2/20 0.38
ABCC3 O15438 1/20 0.38
ABCC4 O15439 1/20 0.38
ABCB11 O95342 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2C9 P11712 1/20 0.38
ABCB4 P21439 1/20 0.38
ABCC2 Q92887 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
IP6K1 Q92551 1/20 0.38
IP6K3 Q96PC2 1/20 0.38

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
SCHEMBL4031584 0.89 LPAR1 (0.43) LPAR1LPAR3NPSR1HTTMEN1
SCHEMBL4031919 0.88 TRPA1 (0.50) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL4027903 0.87 HTT (0.45) LPAR1LPAR3NPSR1HTTRAB9A
SCHEMBL4036870 0.87 MAPK1 (0.42) LPAR1LPAR3KMT2ARAB9APOLB
SCHEMBL4034159 0.85 LPAR1 (0.44) LPAR1LPAR3NPSR1HTTMEN1
SCHEMBL4031825 0.85 NPC1 (0.38) LPAR1LPAR3NPSR1HTTMEN1
SCHEMBL4033953 0.85 LPAR1 (0.41) LPAR1LPAR3
SCHEMBL4030691 0.85 LPAR1 (0.41) LPAR1LPAR3NPSR1ABCC3ABCC4
SCHEMBL4034077 0.83 HDAC3 (0.41) LPAR1LPAR3NPSR1HTTMEN1
SCHEMBL4030969 0.81 LPAR1 (0.38) LPAR1LPAR3NPSR1HTTMEN1

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