SCHEMBL7108805

SCHEMBL7108805

CC(C)(C)CC(C)(C)C1=CC(=O)C(C(C)(C)CC(C)(C)C)=CC1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.37
MAPT P10636 2/20 0.32
CES2 O00748 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
CES1 P23141 1/20 0.32
MPI P34949 1/20 0.32
ATM Q13315 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL11153917 0.82 ERBB2 (0.34) SHBGMAPTALDH1A1HPGDKMT2A
SCHEMBL22203779 0.80 BACE1 (0.46) MAPTALDH1A1HPGDATMNPSR1
SCHEMBL1886441 0.77 ATM (0.34) MAPTCES2ALDH1A1PKMHPGD
SCHEMBL11415221 0.76 SHBG (0.34) SHBGMAPTCES2ALDH1A1PKM
SCHEMBL8926934 0.73 CNR1 (0.33) MAPTCES2ALDH1A1PKMHPGD
SCHEMBL10825776 0.73 ALDH1A1 (0.32) MAPTCES2ALDH1A1PKMHPGD
SCHEMBL14138100 0.70 NPC1 (0.31) ATMLMNA
SCHEMBL30770580 0.70 STAT3 (0.41) ATMLMNA
SCHEMBL49783 0.69 MAPT (0.50) MAPTCES2ALDH1A1PKMHPGD
SCHEMBL11247339 0.69 STAT3 (0.39) MAPTALDH1A1NPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4277558-A ANTIFOGGING HYDROQUINONES OR BENZOQUINONES KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1981-07-07 US claimed
EP-1349821-A1 PROCESS FOR THE C-ALKYLATION OF AROMATIC HYDROXYL COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2003-10-08 EP disclosed
WO-2002055461-A1 PROCESS FOR THE C-ALKYLATION OF AROMATIC HYDROXYL COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2002-07-18 WO disclosed
US-4277558-A ANTIFOGGING HYDROQUINONES OR BENZOQUINONES KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1981-07-07 US disclosed