SCHEMBL31458993

SCHEMBL31458993

CC1CC(C(=O)NNC(=O)OC(C)(C)C)(c2cc(Cl)nc(Cl)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ GAA P10253 5/20 0.37
▸ APLNR P35414 1/20 0.35
▸ DRD2 P14416 5/20 0.34
▸ ACACB O00763 1/20 0.34
▸ ACACA Q13085 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ STK17B O94768 1/20 0.32
▸ STK17A Q9UEE5 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ SIRT2 Q8IXJ6 1/20 0.31
▸ SIRT1 Q96EB6 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
SCHEMBL31459164 0.80 ALDH1A1 (0.38) GAARAB9AALDH1A1
SCHEMBL25415100 0.79 ALDH1A1 (0.35) MEN1KMT2AMAPK1GAARAB9A
SCHEMBL31459244 0.78 S1PR2 (0.34) RAB9A
SCHEMBL31459323 0.77 ACACB (0.34) MEN1KMT2AMAPK1GAAAPLNR
SCHEMBL25414277 0.76 LMNA (0.36) MEN1KMT2ARAB9A
SCHEMBL25411583 0.74 CCR2 (0.36) MAPK1RAB9AALDH1A1
SCHEMBL31459388 0.73 ALOX5AP (0.32) —
SCHEMBL31275328 0.72 — —
SCHEMBL31274972 0.72 S1PR2 (0.38) —
SCHEMBL31458976 0.69 LMNA (0.33) MAPK1RAB9AALDH1A1

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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