SCHEMBL3971043

SCHEMBL3971043

CC(C)C(c1cccc(C(C(C)C)C(C)(C)C)c1O)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 10/20 0.56
GABRB2 P47870 6/20 0.56
GABRB1 P18505 5/20 0.56
CA2 P00918 3/20 0.56
GABRG2 P18507 2/20 0.56
GABRB3 P28472 2/20 0.56
CA1 P00915 2/20 0.56
TSHR P16473 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
FAAH O00519 1/20 0.56
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56
PTGS1 P23219 1/20 0.56
SLC6A2 P23975 1/20 0.56
HTR2C P28335 1/20 0.56
GABRA5 P31644 1/20 0.56
GABRA3 P34903 1/20 0.56
HTR2B P41595 1/20 0.56
GABRA2 P47869 1/20 0.56

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
SCHEMBL6752473 0.94 GABRA1 (0.50) GABRA1GABRB2GABRB1CA2GABRG2
SCHEMBL430924 0.79 GABRA1 (0.58) GABRA1GABRB2GABRB1CA2GABRG2
SCHEMBL8957734 0.74 GABRA1 (0.52) GABRA1GABRB2GABRB1CA2GABRG2
Propofol SCHEMBL2414429 0.72 GABRA1 (1.00) GABRA1GABRB2GABRB1CA2GABRG2
Propofol SCHEMBL36245 0.72 GABRA1 (1.00) GABRA1GABRB2GABRB1CA2GABRG2
SCHEMBL25071130 0.71 HIF1A (0.44) TSHRCYP1A2CYP3A4LMNAHPGD
SCHEMBL1685326 0.71 GABRA1 (0.65) GABRA1GABRB2GABRB1CA2GABRG2
Propofol SCHEMBL1033835 0.70 GABRA1 (0.94) GABRA1GABRB2GABRB1CA2GABRG2
Propofol SCHEMBL10968613 0.70 GABRA1 (0.94) GABRA1GABRB2GABRB1CA2GABRG2
Propofol SCHEMBL8935177 0.70 GABRA1 (0.94) GABRA1GABRB2GABRB1CA2GABRG2

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-7504543-B2 Polyether alcohols and method for the production of polyether alcohols for polyurethane synthesis BASF AKTIENGESELLSCHAFT (DE) 2009-03-17 US disclosed
US-7470735-B2 Phenol-free phosphites DOVER CHEMICAL CORPORATION (US) 2008-12-30 US disclosed
US-20070173628-A1 Polyether alcohols and method for the production of polyether alcohols for polyurethane synthesis BASF AKTIENGESELLSCHAFT (DE) 2007-07-26 US disclosed
WO-2005113665-A2 PHENOL-FREE PHOSPHITES DOVER CHEMICAL CORPORATION (US) 2005-12-01 WO disclosed
US-20040242437-A1 Antiwear performance of engine oils with $g(b)-dithiophosphorylated propionic acids CIBA SPECIALTY CHEMICALS CORP. 2004-12-02 US disclosed
US-20040180999-A1 PHENOL-FREE PHOSPHITES DOVER CHEMICAL CORPORATION (US) 2004-09-16 US disclosed
US-5077340-A Ethylenically unsaturated compounds containing 1-hydrocarbyloxy-2,2,6,6-tetramethylpiperidine moieties, and polymers, copolymers and stabilized compositions CIBA-GEIGY CORPORATION (US) 1991-12-31 US disclosed