SCHEMBL7698176

SCHEMBL7698176

Cc1cccc(C)c1NC(=O)CC[S+]([O-])c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
KMT2A Q03164 5/20 0.41
SCN2A Q99250 4/20 0.41
MAPT P10636 4/20 0.41
SCN3A Q9NY46 3/20 0.41
MEN1 O00255 3/20 0.41
SCN1A P35498 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL9558329 0.83 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9837989 0.81 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7701328 0.76 TDP1 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9328279 0.76 VCAM1 (0.48) KMT2AMEN1LMNAGAAPOLB
SCHEMBL9326943 0.76 GLRA3 (0.46) KMT2AMAPTMEN1CYP1A2LMNA
SCHEMBL9558728 0.75 KMT2A (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7698688 0.75 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30229280 0.74 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7703078 0.73 POLB (0.48) KMT2ASCN2AMAPTSCN3AMEN1
SCHEMBL10357684 0.68 CA2 (0.44) KMT2AMAPTMEN1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-A2 Novel disubstituted 4-hydroxyphenylthio anilides G.D. Searle & Co. (US) 1986-08-13 EP disclosed