SCHEMBL9643177

SCHEMBL9643177

CC(C)c1ccc(-c2ccc(C(C)C)cc2OO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.44
LMNA P02545 2/20 0.42
AKR1C3 P42330 3/20 0.42
AKR1C2 P52895 3/20 0.42
BCHE P06276 3/20 0.39
ACHE P22303 3/20 0.39
TRPA1 O75762 1/20 0.37
PTGS1 P23219 1/20 0.37
CACNA1C Q13936 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
HIF1A Q16665 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35

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
SCHEMBL9643289 0.88 LMNA (0.48) LMNAAKR1C3AKR1C2BCHEACHE
SCHEMBL9344182 0.81 ALDH1A1 (0.44) LMNAAKR1C3AKR1C2TRPA1ALDH1A1
SCHEMBL9809878 0.80 BACE1 (0.46) ERN1LMNAALDH1A1MAPT
SCHEMBL9863360 0.78 TRPA1 (0.43) LMNABCHEACHETRPA1PTGS1
SCHEMBL25898933 0.76 PTGS1 (0.57) ERN1LMNATRPA1PTGS1CACNA1C
SCHEMBL9176619 0.75 ERN1 (0.39) ERN1LMNAAKR1C3AKR1C2HTT
SCHEMBL6537850 0.75 TRPA1 (0.55) LMNABCHEACHETRPA1PTGS1
SCHEMBL2465452 0.75 TRPA1 (0.41) LMNABCHEACHETRPA1PTGS1
SCHEMBL9497243 0.75 ALDH1A1 (0.53) BCHEACHETRPA1PTGS1CACNA1C
SCHEMBL11951598 0.73 DHFR (0.49) ERN1LMNAAKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4983777-A Diisopropylbiphenyl mono- and di-hydroperoxides, process for the preparation thereof, and compounds derived therefrom EASTMAN KODAK COMPANY (US) 1991-01-08 US claimed
JP-1075440-A None JP disclosed
EP-0288582-B1 PROCESS FOR PRODUCING ALKYL GROUP-SUBSTITUTED AROMATIC HYDROCARBONS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-09-02 EP disclosed
US-4983777-A Diisopropylbiphenyl mono- and di-hydroperoxides, process for the preparation thereof, and compounds derived therefrom EASTMAN KODAK COMPANY (US) 1991-01-08 US disclosed
US-4891465-A FLUORINATED MORDENITE ALKYLATION CATALYST MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-01-02 US disclosed
JP-S6475440-A PRODUCTION OF 4,4'-DIHYDROXYBIPHENYL MITSUI PETROCHEMICAL IND 1989-03-22 JP disclosed
EP-0288582-A1 PROCESS FOR PRODUCING ALKYL GROUP-SUBSTITUTED AROMATIC HYDROCARBONS MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1988-11-02 EP disclosed