SCHEMBL9730815

SCHEMBL9730815

CC(C)(C)c1ccc(Oc2ccc3c(c2)C=C(CN(O)C(N)=O)CO3)cc1

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 2/20 0.79
PTGS1 P23219 1/20 0.79
PTGS2 P35354 1/20 0.79

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
SCHEMBL6008413 0.88 ALOX5 (1.00) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9730189 0.86 ALOX5 (1.00) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9729534 0.83 ALOX5 (0.74) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9729579 0.80 ALOX5 (1.00) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9729730 0.80 ALOX5 (1.00) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9730281 0.79 ALOX5 (1.00) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9730598 0.78 ALOX5 (1.00) ALOX5ALOX12PTGS1PTGS2
Formamide SCHEMBL9729746 0.78 ALOX5 (0.63) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9729685 0.78 ALOX5 (1.00) ALOX5ALOX12PTGS1PTGS2
SCHEMBL9731342 0.78 ALOX5 (1.00) 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-5104442-A Cereals HOECHST AKTIENGESELLSCHAFT (DE) 1992-04-14 US disclosed
EP-0412939-A2 Certain benzopyran and benzothiopyran derivatives CIBA-GEIGY AG (CH) 1991-02-13 EP disclosed