SCHEMBL28577830

SCHEMBL28577830

O=C(O)c1ccc(N2CCC[C@H](Oc3ccc(C(F)(F)F)cc3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 14/20 0.53
LIPG Q9Y5X9 3/20 0.52
LIPC P11150 1/20 0.52
NOTUM Q6P988 1/20 0.51
EPHX2 P34913 1/20 0.51
ADRB2 P07550 1/20 0.46

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
SCHEMBL28577831 1.00 FFAR4 (0.53) FFAR4LIPGLIPCNOTUMEPHX2
SCHEMBL28584607 1.00 FFAR4 (0.53) FFAR4LIPGLIPCNOTUMEPHX2
SCHEMBL23631982 0.93 LIPG (0.59) FFAR4LIPGLIPCNOTUMEPHX2
SCHEMBL23632266 0.93 LIPG (0.59) FFAR4LIPGLIPCNOTUMEPHX2
SCHEMBL23631980 0.93 LIPG (0.59) FFAR4LIPGLIPCNOTUMEPHX2
SCHEMBL23632079 0.88 LIPG (0.56) FFAR4LIPGLIPCNOTUMEPHX2
SCHEMBL2089459 0.81 LIPG (0.45) FFAR4LIPGLIPCNOTUM
SCHEMBL30065058 0.81 ACACB (0.53) LIPGLIPCNOTUM
SCHEMBL30065043 0.81 ACACB (0.53) LIPGLIPCNOTUM
SCHEMBL21616648 0.80 NOTUM (0.54) FFAR4NOTUM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113072521-B ROR gamma t inhibitor and application thereof in medicines 广东东阳光药业股份有限公司 2024-04-05 CN disclosed
CN-113072521-A ROR gamma t inhibitor and application thereof in medicine 广东东阳光药业有限公司 2021-07-06 CN disclosed