SCHEMBL21039167

SCHEMBL21039167

N=CC(=C\N)/C=C/C(=O)N1CCC=CC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ PSMB11 A5LHX3 1/20 0.45
▸ PSMA7 O14818 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ FOXO3 O43524 1/20 0.45
▸ MITF O75030 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ PSMB1 P20618 1/20 0.45
▸ PSMA1 P25786 1/20 0.45
▸ PSMA2 P25787 1/20 0.45
▸ PSMA3 P25788 1/20 0.45
▸ PSMA4 P25789 1/20 0.45
▸ PSMB8 P28062 1/20 0.45
▸ PSMB9 P28065 1/20 0.45

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
SCHEMBL15422627 0.83 ALDH1A1 (0.57) ALDH1A1TP53SMN1; SMN2LMNACYP1A2
SCHEMBL15422630 0.83 ALDH1A1 (0.57) ALDH1A1TP53SMN1; SMN2LMNACYP1A2
SCHEMBL21039243 0.81 ALDH1A1 (0.48) ALDH1A1TP53SMN1; SMN2LMNACYP1A2
SCHEMBL21040567 0.73 ALDH1A1 (0.46) ALDH1A1TP53SMN1; SMN2LMNACYP1A2
SCHEMBL15432080 0.72 ALDH1A1 (0.64) ALDH1A1TP53SMN1; SMN2LMNACYP1A2
SCHEMBL21001950 0.71 ALDH1A1 (0.52) ALDH1A1TP53SMN1; SMN2LMNACYP1A2
SCHEMBL21039170 0.71 ALDH1A1 (0.49) ALDH1A1TP53SMN1; SMN2LMNACYP1A2
SCHEMBL21001951 0.71 ALDH1A1 (0.52) ALDH1A1TP53SMN1; SMN2LMNACYP1A2
SCHEMBL22713020 0.71 ALDH1A1 (0.49) ALDH1A1TP53SMN1; SMN2LMNACYP1A2
SCHEMBL15422036 0.71 ALDH1A1 (0.48) ALDH1A1TP53SMN1; SMN2LMNACYP1A2

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-2019103897-A1 DERIVATIVES OF PIPERLONGUMINE AND USES THEREOF AURANSA INC. (US) 2019-05-31 — — WO disclosed
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