SCHEMBL28654933

SCHEMBL28654933

CC(=O)c1cccc(C(F)(F)C2CN(C(=O)OC(C)(C)C)CCO2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 4/20 0.40
▸ GPR119 Q8TDV5 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ RORC P51449 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ RHOA P61586 1/20 0.37
▸ PDE2A O00408 1/20 0.37
▸ RAF1 P04049 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ PARP14 Q460N5 1/20 0.37
▸ EPHX2 P34913 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ EPHA2 P29317 1/20 0.36

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
SCHEMBL28674236 0.87 EPHA2 (0.43) USP30GPR119USP2SMN1; SMN2RORC
SCHEMBL26105464 0.79 USP2 (0.43) GPR119USP2SMN1; SMN2RORCKDM4E
SCHEMBL26104643 0.79 USP2 (0.43) GPR119USP2SMN1; SMN2RORCKDM4E
SCHEMBL23326749 0.79 USP2 (0.39) USP30GPR119USP2SMN1; SMN2RORC
SCHEMBL29861237 0.79 USP2 (0.39) USP30GPR119USP2SMN1; SMN2RORC
SCHEMBL23326772 0.76 USP2 (0.40) USP30GPR119USP2SMN1; SMN2RORC
SCHEMBL29861418 0.76 USP2 (0.40) USP30GPR119USP2SMN1; SMN2RORC
SCHEMBL28655023 0.76 NR1H2 (0.39) GPR119USP2SMN1; SMN2RORCNPC1
SCHEMBL31197159 0.75 USP2 (0.57) USP30GPR119USP2SMN1; SMN2RORC
SCHEMBL27037430 0.75 USP2 (0.57) USP30GPR119USP2SMN1; SMN2RORC

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-113727758-A Bicyclic heterocyclic compounds and use thereof 锐新医药公司 2021-11-30 — — CN disclosed
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