SCHEMBL4030969

SCHEMBL4030969

Cc1noc(-c2ccccc2F)c1N(C(=O)O)C(C)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38
POLB P06746 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAOA P21397 1/20 0.35
BLVRB P30043 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
STAT3 P40763 3/20 0.35
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
ALOX5 P09917 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 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
SCHEMBL4032080 0.86 MEN1 (0.40) LPAR1LPAR3MEN1KMT2AALDH1A1
SCHEMBL4033561 0.84 LPAR1 (0.42) LPAR1LPAR3NPC1MEN1KMT2A
SCHEMBL4028121 0.81 LPAR1 (0.44) LPAR1LPAR3POLBNPC1RAB9A
SCHEMBL4034077 0.81 HDAC3 (0.41) LPAR1LPAR3MEN1KMT2AHDAC6
SCHEMBL4031584 0.80 LPAR1 (0.43) LPAR1LPAR3MEN1KMT2ASTAT3
SCHEMBL4027903 0.78 HTT (0.45) LPAR1LPAR3RAB9ASTAT3ALDH1A1
SCHEMBL4037529 0.77 CTSA (0.37) LPAR1LPAR3MEN1KMT2AALDH1A1
SCHEMBL4031919 0.76 TRPA1 (0.50) LPAR1LPAR3STAT3ALDH1A1PKM
SCHEMBL4034111 0.76 BRD4 (0.37) LPAR1LPAR3POLBNPC1RAB9A
SCHEMBL4030691 0.76 LPAR1 (0.41) LPAR1LPAR3NPSR1GPBAR1

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