SCHEMBL4033523

SCHEMBL4033523

Cc1noc(-c2ccc(COCc3ccco3)cc2)c1N(C(=O)O)C(C)c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.43
LPAR3 Q9UBY5 3/20 0.43
LPAR2 Q9HBW0 2/20 0.43
TP53 P04637 10/20 0.35
MAPT P10636 6/20 0.35
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 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
SCHEMBL4036760 0.88 LPAR1 (0.44) LPAR1LPAR3LPAR2MEN1KMT2A
SCHEMBL4033590 0.87 LPAR1 (0.47) LPAR1LPAR3LPAR2TP53MAPT
SCHEMBL4032920 0.87 ATM (0.44) LPAR1LPAR3LPAR2TP53MAPT
SCHEMBL4029083 0.86 LPAR1 (0.48) LPAR1LPAR3LPAR2MAPTMEN1
SCHEMBL4029159 0.85 LPAR1 (0.47) LPAR1LPAR3LPAR2
SCHEMBL4034499 0.83 LPAR1 (0.48) LPAR1LPAR3LPAR2MAPTMEN1
SCHEMBL4034108 0.82 LPAR1 (0.44) LPAR1LPAR3LPAR2MAPTSMN1; SMN2
SCHEMBL4034159 0.81 LPAR1 (0.44) LPAR1LPAR3LPAR2MAPTSMN1; SMN2
SCHEMBL4034918 0.80 LPAR1 (0.45) LPAR1LPAR3LPAR2TP53
SCHEMBL4033894 0.80 LPAR1 (0.44) LPAR1LPAR3LPAR2MAPTMEN1

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