SCHEMBL4033623

SCHEMBL4033623

CCOCc1cccc(-c2onc(C)c2N(C(=O)O)C(C)c2ccccc2Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.41
LPAR2 Q9HBW0 2/20 0.41
LPAR3 Q9UBY5 2/20 0.41
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
FFAR1 O14842 3/20 0.33
NR1H4 Q96RI1 1/20 0.33
SLC26A6 Q9BXS9 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 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
SCHEMBL4030608 0.91 LPAR1 (0.42) LPAR1LPAR2LPAR3MAPTMEN1
SCHEMBL4032925 0.88 LPAR1 (0.42) LPAR1LPAR2LPAR3MAPTMEN1
SCHEMBL4031244 0.86 LPAR1 (0.43) LPAR1LPAR2LPAR3MAPTMEN1
SCHEMBL4035057 0.84 TP53 (0.41) LPAR1LPAR2LPAR3MAPTMEN1
SCHEMBL4035115 0.84 IP6K1 (0.40) LPAR1LPAR2LPAR3MAPTTP53
SCHEMBL4034108 0.84 LPAR1 (0.44) LPAR1LPAR2LPAR3MAPTMEN1
SCHEMBL4036926 0.84 LPAR1 (0.46) LPAR1LPAR2LPAR3MAPTMEN1
SCHEMBL4030964 0.84 HDAC3 (0.39) LPAR1LPAR2LPAR3MAPTMEN1
SCHEMBL4029083 0.81 LPAR1 (0.48) LPAR1LPAR2LPAR3MAPTMEN1
SCHEMBL4032295 0.81 LPAR1 (0.38) LPAR1LPAR2LPAR3MAPTMEN1

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