SCHEMBL31459218

SCHEMBL31459218

COCc1cc(C2(C(=O)OC)CC(C)C2)cc(Cl)n1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ HSD11B1 P28845 1/20 0.31
▸ ALOX5AP P20292 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
▸ ADAM17 P78536 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
SCHEMBL31459001 0.89 MAPT (0.32) ALDH1A1MAPTLMNAALOX5APKDM4E
SCHEMBL31458983 0.88 TP53 (0.32) TP53MDM2LMNAKDM4ETAS1R3
SCHEMBL31459388 0.87 ALOX5AP (0.32) ALOX5AP
SCHEMBL25414277 0.87 LMNA (0.36) TP53MDM2LMNAKDM4ETAS1R3
SCHEMBL31458976 0.82 LMNA (0.33) ALDH1A1LMNAKDM4ETAS1R3TAS1R1
SCHEMBL31274670 0.80 S1PR2 (0.40) LMNATAS1R3TAS1R1TAS1R2
SCHEMBL31275019 0.79 LMNA (0.34) TP53MDM2LMNAKDM4ETAS1R3
SCHEMBL31459105 0.76 S1PR2 (0.34) TAS1R3TAS1R1TAS1R2
SCHEMBL30521337 0.76 OPRM1 (0.41) —
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
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