SCHEMBL4558800

SCHEMBL4558800

COc1ccc(CC(C)C(C)C)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 7/20 0.73
ALOX12 P18054 3/20 0.73
FOS P01100 1/20 0.66
TTR P02766 1/20 0.66
JUN P05412 1/20 0.66
NR3C1 P04150 1/20 0.66
HSD17B1 P14061 1/20 0.66
HSD17B2 P37059 1/20 0.66
LDHA P00338 1/20 0.59
CA2 P00918 1/20 0.59
ATM Q13315 3/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.50
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
PPARA Q07869 1/20 0.50
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
STAT3 P40763 1/20 0.49
POLB P06746 1/20 0.49

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
Terameprocol SCHEMBL10060164 0.96 ALOX15 (0.77) ALOX15ALOX12FOSTTRJUN
Terameprocol SCHEMBL2356280 0.96 ALOX15 (0.77) ALOX15ALOX12FOSTTRJUN
Terameprocol SCHEMBL30094578 0.96 ALOX15 (0.77) ALOX15ALOX12FOSTTRJUN
Terameprocol SCHEMBL29794162 0.96 ALOX15 (0.77) ALOX15ALOX12FOSTTRJUN
Terameprocol SCHEMBL194588 0.96 ALOX15 (0.77) ALOX15ALOX12FOSTTRJUN
SCHEMBL14238533 0.87 ALOX15 (0.67) ALOX15ALOX12FOSTTRJUN
SCHEMBL15160938 0.87 ALOX15 (0.67) ALOX15ALOX12FOSTTRJUN
SCHEMBL14864105 0.87 ALOX15 (0.67) ALOX15ALOX12FOSTTRJUN
SCHEMBL16323169 0.87 ALOX15 (0.71) ALOX15ALOX12FOSTTRJUN
SCHEMBL10026174 0.86 ALOX15 (0.65) ALOX15ALOX12FOSTTRJUN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111205171-A New synthetic method of nordihydroguaiaretic acid (NDGA) 晋城天成科创股份有限公司 2020-05-29 CN claimed
WO-1988001509-A1 PHARMACOLOGICALLY ACTIVE COMPOSITIONS OF CATECHOLIC BUTANES WITH ZINC CHEMEX PHARMACEUTICALS, INC. (US) 1988-03-10 WO claimed
CN-111205171-A New synthetic method of nordihydroguaiaretic acid (NDGA) 晋城天成科创股份有限公司 2020-05-29 CN disclosed
CN-111205171-A New synthetic method of nordihydroguaiaretic acid (NDGA) 晋城天成科创股份有限公司 2020-05-29 CN disclosed
CN-103585136-A Methods and compositions for delivery of catecholic butanes for treatment of tumors UNIV JOHNS HOPKINS 2014-02-19 CN disclosed
EP-2637649-A2 COMPOUNDS AND METHODS FOR TREATING PAIN Akron Molecules GmbH (AT) 2013-09-18 EP disclosed
CN-101150955-B Oral formulations for delivery of catecholic butanes including NDGA compounds ERIMOS PHARMACEUTICALS LLC 2013-04-17 CN disclosed
WO-2012062925-A2 COMPOUNDS AND METHODS FOR TREATING PAIN AKRON MOLECULES GMBH (AT) 2012-05-18 WO disclosed
CN-1852705-A Methods and compositions for delivery of catecholic butanes for treatment of obesity ERIMOS PHARMACEUTICAL LLP (US) 2006-10-25 CN disclosed
CN-1849115-A Methods and compositions for delivery of catecholic butanes for treatment of tumors UNIV JOHNS HOPKINS (US) 2006-10-18 CN disclosed
CN-1838948-A Methods and compositions for delivery of catecholic butanes for treatment of diseases ERIMOS PHARMACEUTICAL LLP (US) 2006-09-27 CN disclosed
EP-0297733-A2 Pharmaceutical compositions comprising catecholic butanes BLOCK DRUG COMPANY, INC. (US) 1989-01-04 EP disclosed