SCHEMBL8971961

SCHEMBL8971961

C=CC(C(=O)OO)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.45
▸ LMNA P02545 1/20 0.42
▸ ALDH1A1 P00352 8/20 0.42
▸ GAA P10253 1/20 0.41
▸ POLB P06746 4/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CASP3 P42574 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL10590544 0.84 LMNA (0.46) NPSR1LMNAALDH1A1GAAPOLB
SCHEMBL11862069 0.81 LMNA (0.47) LMNAALDH1A1GAAPOLBKDM4E
SCHEMBL1757552 0.77 LMNA (0.60) LMNAALDH1A1GAAPOLBMAPK1
SCHEMBL11863891 0.76 LMNA (0.46) LMNAALDH1A1GAAPOLBTP53
SCHEMBL9064462 0.74 TDP1 (0.49) NPSR1LMNAALDH1A1GAAPOLB
SCHEMBL2989623 0.73 ALDH1A1 (0.50) NPSR1LMNAALDH1A1GAAPOLB
SCHEMBL14463129 0.73 KMT2A (0.44) NPSR1LMNAALDH1A1GAAPOLB
SCHEMBL11865804 0.73 LMNA (0.44) LMNAALDH1A1GAAPOLBTP53
SCHEMBL10590551 0.73 CASP3 (0.43) NPSR1LMNAALDH1A1GAAPOLB
SCHEMBL1756998 0.72 ALDH1A1 (0.49) ALDH1A1GAAPOLBKDM4ETP53

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
US-5536434-A BLEACHES AUSIMONT S.P.A. (IT) 1996-07-16 — — US claimed
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