SCHEMBL7961019

SCHEMBL7961019

CC1=C(C(C)(C)C)C(=O)C(C(C)(C)C)=CC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.47
ATM Q13315 3/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CES2 O00748 1/20 0.47
PKM P14618 1/20 0.47
CES1 P23141 1/20 0.47
MPI P34949 1/20 0.47
MCL1 Q07820 1/20 0.41
KMT2A Q03164 3/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
THRB P10828 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL5038883 0.82 MAPT (0.50) MAPTALDH1A1ATMHPGDNPSR1
SCHEMBL28760815 0.82 MAPT (0.50) MAPTALDH1A1ATMHPGDNPSR1
SCHEMBL1855089 0.77 MAPT (0.45) MAPTALDH1A1ATMHPGDNPSR1
SCHEMBL7876766 0.72 MAPT (0.45) MAPTALDH1A1ATMHPGDNPSR1
SCHEMBL10339622 0.72 MAPT (0.43) MAPTALDH1A1ATMHPGDNPSR1
SCHEMBL49783 0.70 MAPT (0.50) MAPTALDH1A1ATMHPGDNPSR1
SCHEMBL16682775 0.67 ALDH1A1 (0.31) MAPTALDH1A1ATMMCL1
SCHEMBL2576988 0.67 MAPT (0.48) MAPTALDH1A1ATMHPGDNPSR1
SCHEMBL853674 0.66 MAPT (0.52) MAPTALDH1A1ATMHPGDNPSR1
SCHEMBL359232 0.66 ATM (0.52) MAPTALDH1A1ATMHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6280893-B1 CONDUCTIVE SUBSTRATE WITH PHOTOSENSITIVE LAYER, TRANSPORT LAYER AND DICYANOVINYLALKYL SUBSTITUTED CYCLOHEXANONE SHINDENGEN ELECTRIC MANUFACTURING CO., LTD. (JP) 2001-08-28 US disclosed
EP-0665208-B1 4-ALKOXY-2,6-DI-t-BUTYLPHENOL DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1999-01-13 EP disclosed
US-5663373-A ANTIISCHEMIC AGENTS AND ANTIOXIDANTS FORMED IN MULTISTAGE REACTION WITH GRIGNARD REAGENT WITH ALDEHYDE, DISSOLVING, ACIDIFICATION, DEPROTECTION AND CYCLIZATION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-09-02 US disclosed
US-5606089-A ANTIISCHEMIC AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-02-25 US disclosed
US-5574178-A CHEMICAL INTERMEDIATES FOR OXIDATION RESISTANCE AND ANTIISCHEMIC AGENTS FORMED BY MULTISTAGE CYCLIZATION OF ALDEHYDE-ALCOHOL CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1996-11-12 US disclosed
EP-0665208-A1 4-ALKOXY-2,6-DI-t-BUTYLPHENOL DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 1995-08-02 EP disclosed