SCHEMBL7699000

SCHEMBL7699000

CCCC(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.45
MAPT P10636 2/20 0.45
HPN P05981 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
VCAM1 P19320 9/20 0.43
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
ALOX5 P09917 3/20 0.40
PPARG P37231 2/20 0.40
PTGES O14684 2/20 0.40
GLRA3 O75311 1/20 0.40
GLRB P48167 1/20 0.40
TP53 P04637 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PPARA Q07869 2/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL11601063 0.92 PPARG (0.49) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL11736305 0.90 PPARG (0.46) ALOX15MAPTHPNSIRT5VCAM1
Hydrochloric Acid SCHEMBL11599469 0.90 PPARG (0.48) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL11742069 0.89 PPARG (0.45) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL11736649 0.88 HTT (0.50) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL9326923 0.85 VCAM1 (0.43) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL10961680 0.84 MAPT (0.46) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL11664154 0.82 ALDH1A1 (0.46) MAPTLMNAALOX5PPARGPTGES
SCHEMBL10963673 0.81 HPN (0.53) ALOX15MAPTHPNSIRT5VCAM1
SCHEMBL11599468 0.79 HPN (0.41) ALOX15MAPTHPNSIRT5VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0293900-B1 Phenolic thioethers, sulfoxides, and disulfides as inhibitors of 5-lipoxygenase SEARLE & CO (US) 1994-03-16 EP claimed
EP-0293900-A2 Phenolic thioethers, sulfoxides, and disulfides as inhibitors of 5-lipoxygenase G.D. Searle & Co. (US) 1988-12-07 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
EP-0372410-B1 Use of heterocyclic amides to inhibit tumor metastasis SEARLE & CO (US) 1993-10-20 EP disclosed
EP-0190685-B1 HETEROCYCLIC AMIDES G.D. Searle & Co. (US) 1992-07-01 EP disclosed
US-5010080-A !anticarcinogenic agents G. D. SEARLE & CO. (US) 1991-04-23 US disclosed
US-4981853-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS G. D. SEARLE & CO. (US) 1991-01-01 US disclosed
US-4959364-A Method of treating inflammation, allergy, asthma and proliferative skin disease using heterocyclic amides G. D. SEARLE & CO. (US) 1990-09-25 US disclosed
EP-0372410-A2 Use of heterocyclic amides to inhibit tumor metastasis G.D. Searle & Co. (US) 1990-06-13 EP disclosed
EP-0190685-A2 Heterocyclic amides G.D. Searle & Co. (US) 1986-08-13 EP disclosed