SCHEMBL9007665

SCHEMBL9007665

CC(=O)CCCC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.66
PTGS1 P23219 4/20 0.66
ALOX5 P09917 3/20 0.66
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 2/20 0.49
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
GAA P10253 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL25760152 0.95 PTGS2 (0.64) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL9007651 0.90 ALOX5 (0.60) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL11615584 0.85 PTGS2 (0.68) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL9178091 0.83 PTGS2 (0.61) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL9359469 0.83 PTGS2 (0.66) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL23293040 0.82 PTGS2 (0.64) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL7348363 0.82 PTGS2 (0.64) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL13840643 0.82 PTGS2 (0.64) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL7352493 0.82 PTGS2 (0.64) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL7356996 0.82 PTGS2 (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0734256-A1 DI-TERT-BUTYLPHENOL COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1996-10-02 EP disclosed
WO-1995016443-A1 DI-TERT-BUTYLPHENOL COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS THE PROCTER & GAMBLE COMPANY (US) 1995-06-22 WO disclosed