SCHEMBL28587244

SCHEMBL28587244

O=C(O)N1C[C@H](Oc2ccc(C(F)(F)F)cc2)C[C@@H]1CO

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 4/20 0.43
EPHX2 P34913 3/20 0.43
TEAD1 P28347 1/20 0.41
LIPC P11150 1/20 0.40
LIPE Q05469 1/20 0.40
ADRB2 P07550 1/20 0.40
SCN9A Q15858 2/20 0.39
MMP2 P08253 2/20 0.38
MMP13 P45452 2/20 0.38
SPHK2 Q9NRA0 2/20 0.38
SPHK1 Q9NYA1 1/20 0.38
HRH3 Q9Y5N1 2/20 0.37
BCL2A1 Q16548 1/20 0.37
LPL P06858 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
SCHEMBL28601187 1.00 LIPG (0.43) LIPGEPHX2TEAD1LIPCLIPE
SCHEMBL28592884 1.00 LIPG (0.43) LIPGEPHX2TEAD1LIPCLIPE
SCHEMBL28586762 1.00 LIPG (0.43) LIPGEPHX2TEAD1LIPCLIPE
SCHEMBL28593263 0.89 TEAD1 (0.46) LIPGEPHX2TEAD1LIPCLIPE
SCHEMBL28595462 0.88 EPHX2 (0.46) EPHX2MMP2MMP13
SCHEMBL28604577 0.87 LIPG (0.41) LIPGEPHX2TEAD1LIPCLIPE
SCHEMBL28604581 0.87 LIPG (0.41) LIPGEPHX2TEAD1LIPCLIPE
SCHEMBL28592578 0.86 LIPG (0.40) LIPGEPHX2TEAD1LIPCLIPE
SCHEMBL28590716 0.86 LIPG (0.40) LIPGEPHX2TEAD1LIPCLIPE
SCHEMBL28617818 0.86 LIPG (0.40) LIPGEPHX2TEAD1LIPCLIPE

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
CN-113072476-A ROR gamma t inhibitor and preparation method and application thereof 广东东阳光药业有限公司 2021-07-06 CN disclosed