SCHEMBL31459105

SCHEMBL31459105

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ S1PR2 O95136 2/20 0.34
▸ ACACB O00763 9/20 0.33
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ TAS1R2 Q8TE23 1/20 0.32
▸ BACE1 P56817 1/20 0.31
▸ PDCD1 Q15116 1/20 0.31
▸ CD274 Q9NZQ7 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
SCHEMBL31459169 0.87 S1PR2 (0.34) S1PR2ACACBBACE1
SCHEMBL31274670 0.86 S1PR2 (0.40) S1PR2TAS1R3TAS1R1TAS1R2
SCHEMBL25414277 0.82 LMNA (0.36) S1PR2TAS1R3TAS1R1TAS1R2
SCHEMBL31458976 0.78 LMNA (0.33) TAS1R3TAS1R1TAS1R2
SCHEMBL31458983 0.76 TP53 (0.32) TAS1R3TAS1R1TAS1R2
SCHEMBL31459218 0.76 ALDH1A1 (0.32) TAS1R3TAS1R1TAS1R2
SCHEMBL31275111 0.75 S1PR2 (0.39) S1PR2TAS1R3TAS1R1TAS1R2
SCHEMBL31275019 0.75 LMNA (0.34) TAS1R3TAS1R1TAS1R2
SCHEMBL31458968 0.73 TAS1R3 (0.39) TAS1R3TAS1R1TAS1R2
SCHEMBL31274972 0.72 S1PR2 (0.38) S1PR2TAS1R3TAS1R1TAS1R2

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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