SCHEMBL31458983

SCHEMBL31458983

COC(=O)C1(c2cc(Cl)nc(CBr)c2)CC(C)C1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ TAS1R3 Q7RTX0 1/20 0.30
▸ TAS1R1 Q7RTX1 1/20 0.30
▸ TAS1R2 Q8TE23 1/20 0.30

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
SCHEMBL31459218 0.88 ALDH1A1 (0.32) TP53MDM2LMNAKDM4ETAS1R3
SCHEMBL25414277 0.87 LMNA (0.36) TP53MDM2LMNAKDM4ETAS1R3
SCHEMBL31458976 0.82 LMNA (0.33) LMNAKDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL31274670 0.80 S1PR2 (0.40) LMNATAS1R3TAS1R1TAS1R2
SCHEMBL31275019 0.79 LMNA (0.34) TP53MDM2LMNAKDM4ETAS1R3
SCHEMBL31459001 0.77 MAPT (0.32) LMNAKDM4E
SCHEMBL31459105 0.76 S1PR2 (0.34) TAS1R3TAS1R1TAS1R2
SCHEMBL30521337 0.76 OPRM1 (0.41) —
SCHEMBL31459388 0.75 ALOX5AP (0.32) —
SCHEMBL31458968 0.74 TAS1R3 (0.39) TP53MDM2TAS1R3TAS1R1TAS1R2

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
Send feedback