SCHEMBL31459323

SCHEMBL31459323

CCOc1cc(C2(C(=O)NNC(=O)OC(C)(C)C)CC(C)C2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 6/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ AAK1 Q2M2I8 1/20 0.33
▸ ACACA Q13085 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ APLNR P35414 1/20 0.33
▸ ITGA4 P13612 1/20 0.32
▸ ITGB7 P26010 1/20 0.32
▸ PROKR1 Q8TCW9 1/20 0.32
▸ CTPS1 P17812 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP17A1 P05093 1/20 0.31

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
SCHEMBL31459084 0.82 ACACB (0.37) ACACBKMT2AITGA4ITGB7PROKR1
SCHEMBL31459018 0.80 PROKR1 (0.36) ACACBKMT2AMEN1ITGA4ITGB7
SCHEMBL31458993 0.77 MEN1 (0.38) ACACBKMT2AMEN1MAPK1ACACA
SCHEMBL31274972 0.71 S1PR2 (0.38) —
SCHEMBL30872133 0.66 ALDH1A1 (0.35) KMT2AMEN1GAAALDH1A1
SCHEMBL31274670 0.65 S1PR2 (0.40) —
SCHEMBL24196257 0.65 CYP17A1 (0.57) AAK1CTPS1CYP17A1
SCHEMBL31458968 0.64 TAS1R3 (0.39) AAK1
SCHEMBL31275111 0.64 S1PR2 (0.39) KMT2AMEN1
SCHEMBL20270760 0.63 PROKR1 (0.34) ACACBPROKR1

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
WO-2025067227-A1 PREPARATION METHOD FOR CBL-B REGULATOR, AND USE 浙江华海药业股份有限公司 2025-04-03 — — WO disclosed
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