SCHEMBL6673352

SCHEMBL6673352

CNC(=O)Nc1cc(C(C)(C)C)c2c(c1)C(C)(C)CS2

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 0.53
PTGS2 P35354 7/20 0.53
MAPT P10636 1/20 0.38
ALDH1A1 P00352 5/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.33
P2RY1 P47900 1/20 0.32
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
ALOX5 P09917 2/20 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
SCHEMBL6669025 0.75 PTGS2 (0.76) PTGS1PTGS2ALOX5
SCHEMBL6672311 0.70 PTGS1 (0.53) PTGS1PTGS2ALOX5
SCHEMBL6642062 0.70 PTGS1 (0.53) PTGS1PTGS2ALOX5
SCHEMBL6984374 0.70 PTGS2 (0.53) PTGS1PTGS2ALOX5
SCHEMBL8759810 0.69 PTGS2 (1.00) PTGS1PTGS2ALOX5
SCHEMBL6668333 0.69 PTGS1 (0.52) PTGS1PTGS2ALDH1A1TDP1SMN1; SMN2
SCHEMBL6955055 0.68 HTR1D (0.42) PTGS1PTGS2
SCHEMBL8759670 0.68 PTGS2 (0.86) PTGS1PTGS2ALOX5
SCHEMBL13145695 0.66 KDR (0.59) ALDH1A1POLB
SCHEMBL8089277 0.66 PTGS1 (0.58) PTGS1PTGS2MAPTALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0879231-B1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS UNIV VANDERBILT (US) 2004-09-22 EP disclosed
EP-0879231-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1998-11-25 EP disclosed
US-5684041-A FOR TREATING ARTHRITIS THE PROCTER & GAMBLE COMPANY (US) 1997-11-04 US disclosed
WO-1997028143-A1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1997-08-07 WO disclosed