SCHEMBL9729685

SCHEMBL9729685

CCCCCCOc1ccc2c(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 0.66
PTGS1 P23219 1/20 0.66
PTGS2 P35354 1/20 0.66

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
SCHEMBL9729787 0.83 ALOX5 (1.00) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9729534 0.83 ALOX5 (0.74) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9729699 0.81 ALOX5 (1.00) ALOX5ALOX12PTGS1PTGS2
SCHEMBL7203574 0.80 ALOX5 (0.66) ALOX5ALOX12PTGS1PTGS2
SCHEMBL7198793 0.80 ALOX5 (0.66) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9730115 0.78 ALOX5 (0.64) ALOX5ALOX12
SCHEMBL7199698 0.78 MTNR1A (0.72) ALOX5ALOX12
SCHEMBL9730189 0.78 ALOX5 (1.00) ALOX5ALOX12PTGS1PTGS2
SCHEMBL7200474 0.78 ALOX5 (0.63) ALOX5ALOX12PTGS1PTGS2
Formamide SCHEMBL9729689 0.78 ALOX5 (0.63) ALOX5ALOX12PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155130-A Lipoxygenase inhibitors CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed
EP-0412939-A2 Certain benzopyran and benzothiopyran derivatives CIBA-GEIGY AG (CH) 1991-02-13 EP disclosed