SCHEMBL7702154

SCHEMBL7702154

CCc1cccc(CC)c1NC(=O)CCSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
ALDH1A1 P00352 2/20 0.40
THRB P10828 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
POLB P06746 3/20 0.39
MAPT P10636 1/20 0.39
VCAM1 P19320 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7701328 0.87 TDP1 (0.48) GAAKMT2ATDP1THRBALOX15
SCHEMBL9839347 0.83 KDM4E (0.43) TDP1ALDH1A1THRBALOX15TSHR
SCHEMBL7698688 0.81 HDAC3 (0.51) GAAKMT2ATDP1ALDH1A1ALOX15
SCHEMBL9838242 0.80 TDP1 (0.44) KMT2ATDP1ALDH1A1THRBALOX15
SCHEMBL30229280 0.79 HDAC3 (0.52) GAAKMT2ATDP1ALDH1A1ALOX15
SCHEMBL7701586 0.78 THRB (0.62) GAAKMT2ATDP1THRBALOX15
SCHEMBL8336942 0.77 GAA (0.62) GAAKMT2ATDP1ALDH1A1ALOX15
SCHEMBL7745257 0.76 HSD17B10 (0.40) GAAKMT2ATDP1ALDH1A1ALOX15
SCHEMBL7703078 0.74 POLB (0.48) GAAKMT2AALOX15CYP2C19HIF1A
SCHEMBL9328168 0.74 PTGS1 (0.61) GAAKMT2ATDP1ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
WO-2001021166-A1 TREATMENT AND PREVENTION OF HEPATIC DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-03-29 WO claimed
US-5225444-A Antiinflammatory agents or antiallergens G. D. SEARLE & CO. (US) 1993-07-06 US claimed
EP-0190682-B1 NOVEL DISUBSTITUTED 4-HYDROXYPHENYLTHIO ANILIDES G.D. Searle & Co. (US) 1990-09-12 EP 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-5225444-A Antiinflammatory agents or antiallergens G. D. SEARLE & CO. (US) 1993-07-06 US disclosed
US-5071876-A Antiinflammatory agent; antiallergen; skin disorders; asthma; enzyme inhibitors of 5-lipogenase G. D. SEARLE & CO. (US) 1991-12-10 US disclosed
EP-0190682-B1 NOVEL DISUBSTITUTED 4-HYDROXYPHENYLTHIO ANILIDES G.D. Searle & Co. (US) 1990-09-12 EP disclosed
EP-0190682-A2 Novel disubstituted 4-hydroxyphenylthio anilides G.D. Searle & Co. (US) 1986-08-13 EP disclosed