SCHEMBL11558232

SCHEMBL11558232

NC1=NN(c2cccc(CCC(=O)O)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
PLA2G10 O15496 15/20 0.48
PLA2G2A P14555 7/20 0.45
ABL1 P00519 1/20 0.45
PLA2G5 P39877 2/20 0.43
PTPRB P23467 1/20 0.42
CDC25A P30304 1/20 0.42
CDC25B P30305 1/20 0.42
PTEN P60484 1/20 0.42
PTPMT1 Q8WUK0 1/20 0.42
KEAP1 Q14145 1/20 0.41
FFAR1 O14842 1/20 0.40

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
SCHEMBL11368286 0.78 ALOX5 (0.61) ALOX5PTGS1PTGS2ABL1
SCHEMBL2554494 0.74 ALDH1A1 (0.55) PLA2G10PTPRBCDC25ACDC25BPTEN
SCHEMBL29951752 0.72 ALDH1A1 (0.54) PLA2G10PTPRBCDC25ACDC25BPTEN
SCHEMBL15330250 0.72 ALDH1A1 (0.54) PLA2G10PTPRBCDC25ACDC25BPTEN
SCHEMBL11558230 0.72 PTGS1 (0.50) ALOX5PTGS1PTGS2ABL1
SCHEMBL11562454 0.71 PLA2G10 (0.47) PLA2G10PLA2G2APLA2G5PTPRBCDC25A
SCHEMBL7275526 0.71 PLA2G10 (0.45) PLA2G10PLA2G2APTPRBCDC25ACDC25B
SCHEMBL30151165 0.70 KMO (0.58) PLA2G10KEAP1
SCHEMBL7719095 0.70 ALOX5 (0.61) ALOX5PTGS1PTGS2ABL1
Sulfuric Acid SCHEMBL11106611 0.70 ALOX5 (0.50) ALOX5PTGS1PTGS2ABL1

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-4149005-A Process for preparing 1-phenyl-3-aminopyrazoles MONTEDISON S.P.A. (IT) 1979-04-10 US disclosed