SCHEMBL7704620

SCHEMBL7704620

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

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.89
PTGS1 P23219 5/20 0.89
ALOX5 P09917 4/20 0.89
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.43
RECQL P46063 1/20 0.43
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
F2R P25116 3/20 0.39

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
SCHEMBL9420125 1.00 PTGS2 (0.89) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL7696046 0.99 PTGS2 (0.91) PTGS2PTGS1ALOX5KMT2AMEN1
Tebufelone SCHEMBL43674 0.94 PTGS2 (1.00) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL7701417 0.88 ALOX5 (0.83) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL9860963 0.87 PTGS2 (0.85) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL9860870 0.86 PTGS2 (0.84) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL10548270 0.86 PTGS2 (0.70) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL9004912 0.84 PTGS2 (0.64) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL23293040 0.82 PTGS2 (0.64) PTGS2PTGS1ALOX5KMT2AMEN1
SCHEMBL7352493 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218437-B1 ADMINISTERING A THERAPEUTIC AMOUNT OF DI-TERT-BUTYLPHENOL DERIVATIVE TO SUBJECT UNDER CONDITIONS SUCH THAT SAID SYMPTOMS ARE DIMINISHED THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-04-17 US claimed
US-4708966-A SUBSTITUTED DI-TERT-BUTYL PHENOL DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1987-11-24 US claimed
US-6420428-B1 TREATING HEPATITIS C AND HEPATIC FIBROSIS USING 2,6-DI-TERT-BUTYLPHENOL DERIVATIVES; EFFECTIVE IN SUBJECTS WITH INTERFERON INSUSCEPTIBILITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-07-16 US disclosed
US-6369097-B1 Treatment and prevention of hepatic disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-04-09 US disclosed
US-6348493-B1 TREATMENT OF HEPATITIS C BY ADMINISTERING 2,6-DI-TER-BUTYLPHENOL THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-02-19 US disclosed
US-6218437-B1 ADMINISTERING A THERAPEUTIC AMOUNT OF DI-TERT-BUTYLPHENOL DERIVATIVE TO SUBJECT UNDER CONDITIONS SUCH THAT SAID SYMPTOMS ARE DIMINISHED THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-04-17 US disclosed
WO-2001021166-A1 TREATMENT AND PREVENTION OF HEPATIC DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-03-29 WO disclosed
US-4708966-A SUBSTITUTED DI-TERT-BUTYL PHENOL DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1987-11-24 US disclosed