SCHEMBL28595462

SCHEMBL28595462

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

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 16/20 0.46
FAAH O00519 8/20 0.41
AADAC P22760 1/20 0.38
ACHE P22303 1/20 0.37
MMP2 P08253 1/20 0.37
MMP13 P45452 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
SCHEMBL28585322 0.90 EPHX2 (0.40) EPHX2FAAHAADACACHEMMP2
SCHEMBL28585289 0.88 EPHX2 (0.39) EPHX2FAAHAADACACHEMMP2
SCHEMBL28586762 0.88 LIPG (0.43) EPHX2MMP2MMP13
SCHEMBL28587244 0.88 LIPG (0.43) EPHX2MMP2MMP13
SCHEMBL28601187 0.88 LIPG (0.43) EPHX2MMP2MMP13
SCHEMBL28592884 0.88 LIPG (0.43) EPHX2MMP2MMP13
SCHEMBL18586394 0.86 GRIN1 (0.44) EPHX2
SCHEMBL28615590 0.85 DGAT1 (0.40) EPHX2
SCHEMBL28589754 0.85 EPHX2 (0.37) EPHX2FAAHAADACACHEMMP2
SCHEMBL13386753 0.84 GRIN1 (0.42) EPHX2

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