SCHEMBL7704002

SCHEMBL7704002

COCCCN1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)SC1=S

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.55
TAS2R14 Q9NYV8 1/20 0.50
MAPT P10636 5/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
CTNNB1 P35222 2/20 0.48
MAPK1 P28482 2/20 0.48
TCF4 P15884 1/20 0.48
NPC1 O15118 1/20 0.48
USP2 O75604 1/20 0.48
RAB9A P51151 1/20 0.48
PTGS2 P35354 2/20 0.48
PSMD14 O00487 2/20 0.48
POLB P06746 1/20 0.48
NAT1 P18440 1/20 0.47
PTGS1 P23219 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
PDE4B Q07343 2/20 0.45

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
SCHEMBL7704006 1.00 HSD17B3 (0.55) HSD17B3TAS2R14MAPTMEN1KMT2A
SCHEMBL12008464 0.85 MAPT (0.62) TAS2R14MAPTMEN1KMT2AALDH1A1
SCHEMBL8893373 0.84 HSD17B3 (0.49) HSD17B3TAS2R14MAPTMEN1KMT2A
SCHEMBL8933387 0.84 HSD17B3 (0.49) HSD17B3TAS2R14MAPTMEN1KMT2A
SCHEMBL8537491 0.83 HSD17B3 (0.55) HSD17B3TAS2R14MAPTMEN1KMT2A
SCHEMBL8537493 0.83 HSD17B3 (0.55) HSD17B3TAS2R14MAPTMEN1KMT2A
SCHEMBL6881348 0.83 TAS2R14 (0.66) TAS2R14MAPTMEN1KMT2AALDH1A1
SCHEMBL6881346 0.83 TAS2R14 (0.66) TAS2R14MAPTMEN1KMT2AALDH1A1
SCHEMBL6888287 0.80 KMT2A (0.61) MAPTMEN1KMT2AALDH1A1PTGS2
SCHEMBL6888291 0.80 KMT2A (0.61) MAPTMEN1KMT2AALDH1A1PTGS2

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 10 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 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
EP-0434394-B1 Compounds for treating inflammatory bowel disease LILLY CO ELI (US) 1998-08-05 EP disclosed
EP-0722729-A2 Aryl-substituted rhodanines for treating multiple sclerosis ELI LILLY AND COMPANY (US) 1996-07-24 EP disclosed
US-5356917-A Antiischemic, antiinflammatory, antiarthritic agents, treat-ment of dystrophic mammals ELI LILLY AND COMPANY (US) 1994-10-18 US disclosed
US-5158966-A Aryl-substituted rhodanine derivatives THE UNIVERSITY OF COLORADO FOUNDATION, INC. (US) 1992-10-27 US disclosed
EP-0434394-A2 Compounds for treating inflammatory bowel disease ELI LILLY AND COMPANY (US) 1991-06-26 EP disclosed