SCHEMBL28500686

SCHEMBL28500686

CCCCCc1c(C2(CCCCC)OC(=O)CC(=O)O2)cc(OC)c(O)c1OC

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 20/20 0.46
PTGS2 P35354 3/20 0.38

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
SCHEMBL2215829 0.99 ALOX5 (0.48) ALOX5PTGS2
SCHEMBL28503969 0.99 ALOX5 (0.48) ALOX5PTGS2
SCHEMBL28506293 0.99 ALOX5 (0.48) ALOX5PTGS2
SCHEMBL28500590 0.99 ALOX5 (0.48) ALOX5PTGS2
SCHEMBL28499468 0.95 ALOX5 (0.42) ALOX5
SCHEMBL28508824 0.88 ALOX5 (0.36) ALOX5
SCHEMBL28498273 0.86 ALOX5 (0.33) ALOX5
SCHEMBL28507872 0.85 ALOX5 (0.35) ALOX5
SCHEMBL28509620 0.85 ALOX5 (0.35) ALOX5
SCHEMBL28503104 0.85 ALOX5 (0.35) ALOX5

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
CN-112040925-A Use of specific benzylidene malonates for protecting skin against chemically induced stress 默克专利股份有限公司 2020-12-04 CN disclosed