SCHEMBL9729787

SCHEMBL9729787

CCCCCCCc1ccc2c(c1)C=C(CN(O)C(N)=O)CO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 20/20 1.00
ALOX12 P18054 1/20 0.57
PTGS1 P23219 1/20 0.57
PTGS2 P35354 1/20 0.57

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
SCHEMBL9729955 0.77 ALOX5 (1.00) ALOX5ALOX12PTGS1PTGS2
SCHEMBL6165973 0.74 ALOX5 (0.60) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9729800 0.70 ALOX5 (0.83) ALOX5ALOX12PTGS1PTGS2
SCHEMBL3604872 0.68 ALOX5 (0.52) ALOX5PTGS1PTGS2
SCHEMBL3604867 0.68 ALOX5 (0.52) ALOX5PTGS1PTGS2
SCHEMBL7605456 0.68 ALOX5 (0.51) ALOX5PTGS1PTGS2
SCHEMBL5385068 0.66 ALOX5 (0.48) ALOX5
SCHEMBL5372803 0.66 ALOX5 (0.48) ALOX5
SCHEMBL1292108 0.65 ALOX5 (0.46) ALOX5
SCHEMBL15272035 0.62 TAAR1 (0.59)

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-5155130-A Lipoxygenase inhibitors CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed