SCHEMBL31304882

SCHEMBL31304882

CP(C)(=O)c1ccc(NC(=O)O)c2c1CCO2

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ MTNR1B P49286 1/20 0.30
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 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
SCHEMBL31304930 0.82 RXFP1 (0.33) —
SCHEMBL25032056 0.76 IDO1 (0.32) —
SCHEMBL30184473 0.76 — —
SCHEMBL25030877 0.76 — —
SCHEMBL31304829 0.75 ALDH1A1 (0.35) MTNR1BMAOAMAOB
SCHEMBL25032392 0.73 LMNA (0.38) MAPT
SCHEMBL30184568 0.73 LMNA (0.38) MAPT
SCHEMBL27212329 0.71 F2 (0.30) MTNR1B
SCHEMBL25891371 0.67 PARP1 (0.54) NPC1CYP1A2POLBCYP3A4MAPT
SCHEMBL25032479 0.67 PSMB8 (0.34) POLB

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-2025031471-A1 NOVEL HETEROCYCLIC COMPOUND FOR REGULATING P53 FUNCTION 德睿智药(苏州)新药研发有限公司 2025-02-13 — — WO disclosed
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