SCHEMBL31620906

SCHEMBL31620906

COc1ccc2c(c1)N(C(=O)C=Cc1cc(OC)c(OC)c(OC)c1)CCN2C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.52
▸ LMNA P02545 3/20 0.52
▸ MAPT P10636 4/20 0.49
▸ TP53 P04637 3/20 0.49
▸ HSD17B10 Q99714 3/20 0.49
▸ STAT6 P42226 1/20 0.49
▸ HPGD P15428 5/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ PSMB11 A5LHX3 1/20 0.48
▸ PSMA7 O14818 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ FOXO3 O43524 1/20 0.48
▸ MITF O75030 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ PSMB1 P20618 1/20 0.48
▸ PSMA1 P25786 1/20 0.48
▸ PSMA2 P25787 1/20 0.48

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
SCHEMBL31620904 1.00 ALDH1A1 (0.52) ALDH1A1LMNAMAPTTP53HSD17B10
SCHEMBL31620932 0.90 ALDH1A1 (0.51) ALDH1A1LMNAMAPTHSD17B10HPGD
SCHEMBL31620933 0.89 ALDH1A1 (0.52) ALDH1A1LMNAMAPTHPGDNPC1
SCHEMBL31620871 0.89 ALDH1A1 (0.52) ALDH1A1LMNAMAPTHPGDNPC1
SCHEMBL31620910 0.88 ALDH1A1 (0.50) ALDH1A1LMNAMAPTTP53HSD17B10
SCHEMBL31620877 0.86 MAOB (0.46) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL31620900 0.85 GPR183 (0.46) ALDH1A1LMNATP53HPGDNPC1
SCHEMBL31620943 0.83 ALDH1A1 (0.47) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL31620866 0.83 ALDH1A1 (0.44) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL31620909 0.82 MAOA (0.47) ALDH1A1LMNAMAPTTP53HPGD

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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