SCHEMBL7701586

SCHEMBL7701586

CCc1cccc(CC)c1NC(=O)CCS(=O)(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.62
POLB P06746 4/20 0.53
MAPT P10636 2/20 0.47
GRK2 P25098 3/20 0.46
KMT2A Q03164 5/20 0.46
CTDSP1 Q9GZU7 2/20 0.45
PPARG P37231 1/20 0.45
NR2E3 Q9Y5X4 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
RXFP1 Q9HBX9 1/20 0.42
PAX8 Q06710 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 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
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL9558728 0.87 KMT2A (0.61) THRBPOLBMAPTGRK2KMT2A
SCHEMBL7702154 0.78 GAA (0.41) THRBPOLBMAPTKMT2ASMN1; SMN2
SCHEMBL9330309 0.74 VCAM1 (0.49) KMT2ASMN1; SMN2GAATDP1
SCHEMBL10706417 0.73 GABRA1 (0.42) POLBKMT2AGAAALOX15TSHR
SCHEMBL9558788 0.70 KMT2A (0.64) THRBPOLBMAPTGRK2KMT2A
SCHEMBL7225143 0.69 POLB (0.47) THRBPOLBMAPTSMN1; SMN2TP53
SCHEMBL7223730 0.69 ALOX15 (0.52) THRBPOLBMAPTSMN1; SMN2TP53
SCHEMBL9501236 0.69 CA2 (0.48) POLBMAPTKMT2ASMN1; SMN2TP53
SCHEMBL7745257 0.68 HSD17B10 (0.40) MAPTKMT2AGAAMEN1ALOX15
SCHEMBL9558798 0.67 KMT2A (0.60) THRBPOLBMAPTGRK2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001021166-A1 TREATMENT AND PREVENTION OF HEPATIC DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-03-29 WO 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
EP-0190682-B1 NOVEL DISUBSTITUTED 4-HYDROXYPHENYLTHIO ANILIDES G.D. Searle & Co. (US) 1990-09-12 EP disclosed