SCHEMBL28617818

SCHEMBL28617818

N#CC[C@H]1C[C@H](Oc2ccc(C(F)(F)F)cc2)CN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 3/20 0.40
EPHX2 P34913 4/20 0.40
TEAD1 P28347 1/20 0.38
ACACB O00763 1/20 0.38
LIPC P11150 1/20 0.38
LIPE Q05469 1/20 0.38
ADRB2 P07550 1/20 0.37
DPP4 P27487 2/20 0.37
FAP Q12884 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
MMP2 P08253 2/20 0.36
MMP13 P45452 2/20 0.36
HRH3 Q9Y5N1 2/20 0.35
BCL2A1 Q16548 1/20 0.35
NAAA Q02083 1/20 0.35

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
SCHEMBL28592578 1.00 LIPG (0.40) LIPGEPHX2TEAD1ACACBLIPC
SCHEMBL23632401 0.86 GPR119 (0.41) LIPGEPHX2TEAD1ACACBLIPE
SCHEMBL28586762 0.86 LIPG (0.43) LIPGEPHX2TEAD1LIPCLIPE
SCHEMBL28601187 0.86 LIPG (0.43) LIPGEPHX2TEAD1LIPCLIPE
SCHEMBL28592884 0.86 LIPG (0.43) LIPGEPHX2TEAD1LIPCLIPE
SCHEMBL28587244 0.86 LIPG (0.43) LIPGEPHX2TEAD1LIPCLIPE
SCHEMBL23631918 0.85 PDK1 (0.39) EPHX2LIPEDPP4FAPDPP8
SCHEMBL28604577 0.83 LIPG (0.41) LIPGEPHX2TEAD1ACACBLIPC
SCHEMBL28604581 0.83 LIPG (0.41) LIPGEPHX2TEAD1ACACBLIPC
SCHEMBL28619536 0.82 LIPG (0.43) LIPGEPHX2TEAD1ACACBLIPC

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-113072542-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