SCHEMBL27417533

SCHEMBL27417533

C=CCc1ccc2c(c1S(=O)(=O)O)C(=O)NC2=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.36
▸ POLB P06746 2/20 0.34
▸ CASP3 P42574 1/20 0.33
▸ PARP1 P09874 3/20 0.33
▸ GABRA1 P14867 1/20 0.32
▸ GABRB2 P47870 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ WEE1 P30291 1/20 0.31
▸ SRD5A1 P18405 1/20 0.31
▸ PPOX P50336 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL10582955 0.77 PARP1 (0.37) ELANECASP3PARP1GABRA1GABRB2
SCHEMBL4349729 0.77 ELANE (0.47) ELANEPOLBCASP3GABRA1GABRB2
SCHEMBL31126261 0.75 PPOX (0.32) POLBPARP1KDM4EALDH1A1MEN1
SCHEMBL170914 0.72 GABRA1 (0.49) ELANEPOLBCASP3PARP1GABRA1
SCHEMBL7173521 0.71 TDP1 (0.40) ELANEPOLBCASP3PARP1GABRA1
Ammonia Solution, Strong SCHEMBL3259478 0.71 GABRA1 (0.47) ELANEPOLBCASP3PARP1GABRA1
SCHEMBL11655506 0.70 POLB (0.51) ELANEPOLBPARP1GABRA1GABRB2
SCHEMBL11615863 0.70 SRD5A1 (0.44) POLBCASP3PARP1GABRA1GABRB2
SCHEMBL11427967 0.69 PARP1 (0.35) POLBCASP3PARP1KDM4EALDH1A1
SCHEMBL1734600 0.68 POLB (0.38) ELANEPOLBGABRA1GABRB2MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1181185-A Antimicrobial composition AKIO SUGUNUMA (JP) 1998-05-13 — — CN claimed
CN-1089997-C Antimicrobial composition SUGANUMA AKIO (JP) 2002-09-04 — — CN disclosed
CN-1181185-A Antimicrobial composition AKIO SUGUNUMA (JP) 1998-05-13 — — CN disclosed
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