SCHEMBL31620910

SCHEMBL31620910

COC(=O)c1ccc2c(c1)N(C(=O)C=Cc1cc(OC)c(OC)c(OC)c1)CCN2C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.50
▸ LMNA P02545 2/20 0.50
▸ TP53 P04637 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ STAT6 P42226 1/20 0.47
▸ HPGD P15428 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ PSMB11 A5LHX3 1/20 0.46
▸ PSMA7 O14818 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ FOXO3 O43524 1/20 0.46
▸ MITF O75030 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ PSMB1 P20618 1/20 0.46
▸ PSMA1 P25786 1/20 0.46
▸ PSMA2 P25787 1/20 0.46

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
SCHEMBL31620924 0.89 TRPV1 (0.49) ALDH1A1LMNATP53MAPTHSD17B10
SCHEMBL31620940 0.88 P4HB (0.48) ALDH1A1LMNAMAPTKDM4ECYP1A2
SCHEMBL31620904 0.88 ALDH1A1 (0.52) ALDH1A1LMNATP53MAPTHSD17B10
SCHEMBL31620906 0.88 ALDH1A1 (0.52) ALDH1A1LMNATP53MAPTHSD17B10
SCHEMBL31620896 0.87 GPR183 (0.53) ALDH1A1LMNATP53MAPTHPGD
SCHEMBL31620888 0.87 GPR183 (0.53) ALDH1A1LMNATP53MAPTHPGD
SCHEMBL31620941 0.81 MEN1 (0.43) ALDH1A1LMNAMAPTHSD17B10HPGD
SCHEMBL31620905 0.80 HDAC1 (0.53) ALDH1A1MAPTHSD17B10HPGDKDM4E
SCHEMBL31620938 0.80 EPHX2 (0.44) ALDH1A1LMNAMAPTHPGDCYP1A2
SCHEMBL31620932 0.78 ALDH1A1 (0.51) ALDH1A1LMNAMAPTHSD17B10HPGD

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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