SCHEMBL7698649

SCHEMBL7698649

CC(C)(C)c1cc(/C=C2\NCOC2=O)cc(C(C)(C)C)c1O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.57
PTGS1 P23219 5/20 0.57
ALOX5 P09917 1/20 0.57
GAA P10253 2/20 0.56
EEF2K O00418 1/20 0.54
SRC P12931 1/20 0.54
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
SIRT1 Q96EB6 1/20 0.46
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
IGF1R P08069 1/20 0.46

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
SCHEMBL7698651 1.00 PTGS2 (0.57) PTGS2PTGS1ALOX5GAAEEF2K
SCHEMBL10519555 0.81 EEF2K (0.50) PTGS2PTGS1ALOX5GAAEEF2K
SCHEMBL10519551 0.81 EEF2K (0.50) PTGS2PTGS1ALOX5GAAEEF2K
SCHEMBL8779656 0.80 PTGS2 (0.60) PTGS2PTGS1ALOX5GAAEEF2K
SCHEMBL8779652 0.80 PTGS2 (0.60) PTGS2PTGS1ALOX5GAAEEF2K
SCHEMBL9684863 0.77 GAA (0.56) PTGS2PTGS1ALOX5GAAEEF2K
SCHEMBL10518975 0.77 IGF1R (0.53) GAACYP1A2CYP2C9MEN1ALDH1A1
SCHEMBL10518983 0.77 IGF1R (0.53) GAACYP1A2CYP2C9MEN1ALDH1A1
SCHEMBL10369603 0.75 PTGS2 (0.58) PTGS2PTGS1ALOX5EEF2KSRC
SCHEMBL9371718 0.75 PTGS2 (0.66) PTGS2PTGS1ALOX5GAAEEF2K

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0343643-A2 Arylmethylenyl derivatives of thiazolidnones, imidazolidinones and oxazolidinones useful as antiallergy agents and antiinflamatory agents WARNER-LAMBERT COMPANY (US) 1989-11-29 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