SCHEMBL7701328

SCHEMBL7701328

Cc1cccc(C)c1NC(=O)CCSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
SCN2A Q99250 4/20 0.46
MAPT P10636 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 3/20 0.46
SCN1A P35498 2/20 0.46
SCN3A Q9NY46 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46

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
SCHEMBL7698688 0.94 HDAC3 (0.51) TDP1MEN1KMT2ASCN2AMAPT
SCHEMBL30229280 0.92 HDAC3 (0.52) TDP1MEN1KMT2ASCN2AMAPT
SCHEMBL7703078 0.88 POLB (0.48) MEN1KMT2ASCN2AMAPTCYP1A2
SCHEMBL7702154 0.87 GAA (0.41) TDP1KMT2AMAPTALOX15LMNA
SCHEMBL9559110 0.82 TDP1 (0.50) TDP1MEN1KMT2ASCN2AMAPT
SCHEMBL8336942 0.78 GAA (0.62) TDP1KMT2AMAPTCYP1A2ALOX15
SCHEMBL9558728 0.77 KMT2A (0.61) MEN1KMT2ASCN2AMAPTCYP1A2
SCHEMBL9837613 0.77 HDAC3 (0.53) TDP1MEN1KMT2ASCN2AMAPT
SCHEMBL7698176 0.76 HDAC3 (0.47) MEN1KMT2ASCN2AMAPTCYP1A2
SCHEMBL8336534 0.76 GAA (0.53) TDP1MEN1KMT2AMAPTCYP1A2

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 19 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
US-5189038-A Administering phenolic thioethers G. D. SEARLE AND CO. (US) 1993-02-23 US claimed
WO-1992004026-A1 USE OF 4-HYDROXYPHENYL-THIOETHERS FOR STIMULATING SUPEROXIDE GENERATION G.D. SEARLE & CO. (US) 1992-03-19 WO claimed
US-5071876-A Antiinflammatory agent; antiallergen; skin disorders; asthma; enzyme inhibitors of 5-lipogenase G. D. SEARLE & CO. (US) 1991-12-10 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-5189038-A Administering phenolic thioethers G. D. SEARLE AND CO. (US) 1993-02-23 US disclosed
WO-1992004026-A1 USE OF 4-HYDROXYPHENYL-THIOETHERS FOR STIMULATING SUPEROXIDE GENERATION G.D. SEARLE & CO. (US) 1992-03-19 WO disclosed
US-5082854-A Enzyme inhibitors G. D. SEARLE & CO. (US) 1992-01-21 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