SCHEMBL31620933

SCHEMBL31620933

COc1ccc(C=CC(=O)N2CCN(C(=O)OC(C)(C)C)c3cc(OC)ccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ LMNA P02545 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ GPR183 P32249 11/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ F3 P13726 1/20 0.43
▸ ABCB1 P08183 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ THRB P10828 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL31620871 1.00 ALDH1A1 (0.52) ALDH1A1LMNAGAAHPGDGPR183
SCHEMBL31620900 0.94 GPR183 (0.46) ALDH1A1LMNAGAAHPGDGPR183
SCHEMBL31620866 0.91 ALDH1A1 (0.44) ALDH1A1LMNAGAAHPGDGPR183
SCHEMBL31620932 0.91 ALDH1A1 (0.51) ALDH1A1LMNAGAAHPGDMAPT
SCHEMBL31620877 0.91 MAOB (0.46) ALDH1A1LMNAGAAHPGDABCB1
SCHEMBL31620909 0.90 MAOA (0.47) ALDH1A1LMNAGAAHPGDNPC1
SCHEMBL31620896 0.90 GPR183 (0.53) ALDH1A1LMNAGAAHPGDGPR183
SCHEMBL31620943 0.90 ALDH1A1 (0.47) ALDH1A1LMNAGAAHPGDGPR183
SCHEMBL31620888 0.90 GPR183 (0.53) ALDH1A1LMNAGAAHPGDGPR183
SCHEMBL31620906 0.89 ALDH1A1 (0.52) ALDH1A1LMNAGAAHPGDNPC1

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
CN-120136796-A Alpha, beta unsaturated ketone derivative and preparation method and application thereof 河南大学 2025-06-13 — — CN disclosed
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