SCHEMBL4034655

SCHEMBL4034655

Cc1onc(-c2cccc(C(F)(F)F)c2)c1N(C(=O)O)C(C)c1ccccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.49
EPAS1 Q99814 3/20 0.45
CTSA P10619 1/20 0.42
RORB Q92753 4/20 0.42
RORC P51449 3/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
PTGS2 P35354 1/20 0.37

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
SCHEMBL4032705 0.89 GPBAR1 (0.48) GPBAR1CTSAKMT2AMEN1ALDH1A1
SCHEMBL4029082 0.87 GAA (0.45) GPBAR1KMT2AMEN1ALDH1A1LMNA
SCHEMBL4028916 0.87 GAA (0.45) GPBAR1KMT2AMEN1ALDH1A1LMNA
SCHEMBL4037046 0.86 KMT2A (0.43) GPBAR1RORBKMT2AMEN1ALDH1A1
SCHEMBL4034254 0.82 KMT2A (0.44) GPBAR1KMT2AMEN1ALDH1A1LMNA
SCHEMBL4029400 0.82 ALDH1A1 (0.43) GPBAR1KMT2AMEN1ALDH1A1LMNA
SCHEMBL4037102 0.81 GPBAR1 (0.49) GPBAR1KMT2AMEN1ALDH1A1LMNA
SCHEMBL4033798 0.79 MEN1 (0.43) GPBAR1KMT2AMEN1ALDH1A1LMNA
SCHEMBL4032656 0.79 MEN1 (0.48) GPBAR1KMT2AMEN1ALDH1A1LMNA
SCHEMBL4033782 0.77 MAPK1 (0.42) GPBAR1KMT2AMEN1ALDH1A1LMNA

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