SCHEMBL9736859

SCHEMBL9736859

CC(C)(C)c1cc(/C=C2\SC(NCCCC(=O)O)=NC2=O)cc(C(C)(C)C)c1O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.56
PTGS1 P23219 9/20 0.56
ALOX5 P09917 1/20 0.56
EEF2K O00418 1/20 0.38
SRC P12931 1/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 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
SCHEMBL8962074 1.00 PTGS2 (0.56) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL8961965 0.83 PTGS2 (0.64) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL8961976 0.83 PTGS2 (0.64) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL8961997 0.83 PTGS2 (0.64) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL8962058 0.83 PTGS2 (0.58) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL8962054 0.83 PTGS2 (0.58) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL8962056 0.83 PTGS2 (0.58) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL8961993 0.81 PTGS2 (0.60) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL8962142 0.81 PTGS2 (0.60) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL8962140 0.81 PTGS2 (0.60) PTGS2PTGS1ALOX5EEF2KSRC

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-5143928-A Inhibitors of cyclooxygenase and lipoxygenase WARNER-LAMBERT COMPANY (US) 1992-09-01 US claimed