SCHEMBL9860963

SCHEMBL9860963

C#CCCCC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)CO)c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.85
PTGS1 P23219 8/20 0.85
ALOX5 P09917 6/20 0.85
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 2/20 0.40
RECQL P46063 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GMNN O75496 1/20 0.36
GABBR2 O75899 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
Tebufelone SCHEMBL43674 0.92 PTGS2 (1.00) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL7696046 0.88 PTGS2 (0.91) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL9420125 0.87 PTGS2 (0.89) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL7704620 0.87 PTGS2 (0.89) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL9860870 0.84 PTGS2 (0.84) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL7701417 0.83 ALOX5 (0.83) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL10551397 0.80 PTGS2 (0.76) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL10551484 0.78 PTGS2 (0.73) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL9860910 0.78 PTGS2 (0.73) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL10548270 0.77 PTGS2 (0.70) PTGS2PTGS1ALOX5KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0251408-B1 NOVEL ANTI-INFLAMMATORY AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR REDUCING INFLAMMATION THE PROCTER & GAMBLE COMPANY (US) 1991-04-17 EP disclosed
US-4982006-A Process for the preparation of certain substituted aromatic compounds NORWICH EATON PHARMACEUTICALS, INC. (US) 1991-01-01 US disclosed
US-4847303-A UNSATURATED KETONES THE PROCTER & GAMBLE COMPANY (US) 1989-07-11 US disclosed
EP-0321432-A1 Process for the preparation of certain substituted aromatic compounds Norwich Eaton Pharmaceuticals, Inc. (US) 1989-06-21 EP disclosed
EP-0318090-A2 Tert-butyl phenyl compounds as anti-inflammatory agents THE PROCTER & GAMBLE COMPANY (US) 1989-05-31 EP disclosed
EP-0251408-A1 Novel anti-inflammatory agents, pharmaceutical compositions and methods for reducing inflammation THE PROCTER & GAMBLE COMPANY (US) 1988-01-07 EP disclosed