SCHEMBL31620866

SCHEMBL31620866

COc1ccc2c(c1)N(C(=O)C=Cc1ccc(C#N)cc1)CCN2C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ GPR119 Q8TDV5 1/20 0.43
▸ SNCA P37840 1/20 0.41
▸ GPR183 P32249 7/20 0.39
▸ FNTA P49354 1/20 0.39
▸ FNTB P49356 1/20 0.39
▸ ABCB1 P08183 1/20 0.39
▸ CFD P00746 1/20 0.38
▸ P4HB P07237 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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 0.91 ALDH1A1 (0.52) ALDH1A1LMNAGAAHPGDGPR183
SCHEMBL31620933 0.91 ALDH1A1 (0.52) ALDH1A1LMNAGAAHPGDGPR183
SCHEMBL31620900 0.87 GPR183 (0.46) ALDH1A1LMNAGAAHPGDGPR183
SCHEMBL31620932 0.85 ALDH1A1 (0.51) ALDH1A1LMNAGAAHPGDTDP1
SCHEMBL31620877 0.84 MAOB (0.46) ALDH1A1LMNAGAAHPGDABCB1
SCHEMBL31620909 0.84 MAOA (0.47) ALDH1A1LMNAGAAHPGDNPC1
SCHEMBL31620943 0.84 ALDH1A1 (0.47) ALDH1A1LMNAGAAHPGDGPR183
SCHEMBL31620906 0.83 ALDH1A1 (0.52) ALDH1A1LMNAGAAHPGDNPC1
SCHEMBL31620904 0.83 ALDH1A1 (0.52) ALDH1A1LMNAGAAHPGDNPC1
SCHEMBL31620896 0.82 GPR183 (0.53) ALDH1A1LMNAGAAHPGDGPR183

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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