SCHEMBL8962068

SCHEMBL8962068

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

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.70
PTGS1 P23219 8/20 0.70
ALOX5 P09917 1/20 0.61
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MITF O75030 3/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL8962128 1.00 PTGS2 (0.70) PTGS2PTGS1ALOX5MEN1KMT2A
SCHEMBL8962123 1.00 PTGS2 (0.70) PTGS2PTGS1ALOX5MEN1KMT2A
SCHEMBL7701809 0.83 PTGS2 (1.00) PTGS2PTGS1ALOX5MAPTALDH1A1
SCHEMBL7701811 0.83 PTGS2 (1.00) PTGS2PTGS1ALOX5MAPTALDH1A1
SCHEMBL7701813 0.83 PTGS2 (1.00) PTGS2PTGS1ALOX5MAPTALDH1A1
SCHEMBL8962034 0.80 PTGS2 (0.75) PTGS2PTGS1ALOX5CYP1A2CYP2C9
SCHEMBL8962043 0.80 PTGS2 (0.75) PTGS2PTGS1ALOX5CYP1A2CYP2C9
SCHEMBL8962039 0.80 PTGS2 (0.75) PTGS2PTGS1ALOX5CYP1A2CYP2C9
SCHEMBL8962192 0.77 PTGS2 (0.78) PTGS2PTGS1ALOX5CYP1A2CYP2C9
SCHEMBL8962137 0.77 PTGS2 (0.78) PTGS2PTGS1ALOX5CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449216-B1 3,5-di-tertiarybutyl-4-hydroxyphenylmethylene derivatives of 2-substituted thiazolidinones, oxazolidinones, and imidazolidinones as antiinflammatory agents WARNER LAMBERT CO (US) 1996-02-07 EP claimed
US-5143928-A Inhibitors of cyclooxygenase and lipoxygenase WARNER-LAMBERT COMPANY (US) 1992-09-01 US claimed
EP-0449216-A1 3,5-di-tertiarybutyl-4-hydroxyphenylmethylene derivatives of 2-substituted thiazolidinones, oxazolidinones, and imidazolidinones as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1991-10-02 EP claimed