SCHEMBL9860870

SCHEMBL9860870

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

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 10/20 0.84
▸ PTGS1 P23219 9/20 0.84
▸ ALOX5 P09917 6/20 0.84
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ LMNA P02545 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GALR3 O60755 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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) PTGS2PTGS1ALOX5MEN1KMT2A
SCHEMBL9861093 0.88 ALOX5 (0.65) PTGS2PTGS1ALOX5MEN1KMT2A
SCHEMBL7696046 0.87 PTGS2 (0.91) PTGS2PTGS1ALOX5MEN1KMT2A
SCHEMBL9178091 0.87 PTGS2 (0.61) PTGS2PTGS1ALOX5MEN1KMT2A
SCHEMBL9420125 0.86 PTGS2 (0.89) PTGS2PTGS1ALOX5MEN1KMT2A
SCHEMBL7704620 0.86 PTGS2 (0.89) PTGS2PTGS1ALOX5MEN1KMT2A
SCHEMBL9178540 0.86 PTGS2 (0.60) PTGS2PTGS1ALOX5MEN1KMT2A
SCHEMBL9860963 0.84 PTGS2 (0.85) PTGS2PTGS1ALOX5MEN1KMT2A
SCHEMBL7701417 0.83 ALOX5 (0.83) PTGS2PTGS1ALOX5MEN1KMT2A
SCHEMBL10551397 0.82 PTGS2 (0.76) PTGS2PTGS1ALOX5MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2000122-A — — None — — JP disclosed
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
JP-H02122-A TERTIARY-BUTYLPHENYL COMPOUND USEFUL AS ANTIINFLAMMATORY AGENT PROCTER & GAMBLE CO:THE 1990-01-05 — — JP 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
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