SCHEMBL8978636

SCHEMBL8978636

CC(NC1=NC(=O)C(=Cc2c(C(C)(C)C)cc(O)cc2C(C)(C)C)S1)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.40
PTGS2 P35354 6/20 0.40
ALOX5 P09917 1/20 0.40
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8962032 0.84 PTGS2 (0.59) PTGS1PTGS2ALOX5
SCHEMBL8978826 0.79 PTGS1 (0.43) PTGS1PTGS2ALOX5KDM4EMEN1
SCHEMBL9346192 0.79 PTGS1 (0.43) PTGS1PTGS2ALOX5KDM4EMEN1
SCHEMBL8978838 0.79 PTGS1 (0.43) PTGS1PTGS2ALOX5KDM4EMEN1
SCHEMBL9346182 0.76 PTGS1 (0.53) PTGS1PTGS2ALOX5MEN1ALDH1A1
SCHEMBL8961980 0.65 PTGS2 (0.68) PTGS1PTGS2ALOX5
SCHEMBL8961971 0.65 PTGS2 (0.68) PTGS1PTGS2ALOX5
SCHEMBL8962011 0.64 PTGS2 (0.59) PTGS1PTGS2ALOX5
SCHEMBL8962006 0.64 PTGS2 (0.59) PTGS1PTGS2ALOX5
SCHEMBL8962056 0.64 PTGS2 (0.58) PTGS1PTGS2ALOX5

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
US-5494927-A INHIBITS ACTIVITY OF 5-LIPOXYGENASE AND-OR CYCLOOXYGENASE WARNER-LAMBERT COMPANY (US) 1996-02-27 US disclosed
US-5290800-A Enzyme inhibitors WARNER-LAMBERT COMPANY (US) 1994-03-01 US disclosed
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 disclosed