SCHEMBL6049696

SCHEMBL6049696

CC(C)c1cc(CCl)cc(C(C)C)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.59
GABRA1 P14867 7/20 0.58
GABRB1 P18505 6/20 0.58
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
GABRB2 P47870 4/20 0.52
GABRA5 P31644 2/20 0.47
GABRA3 P34903 2/20 0.47
GABRA2 P47869 2/20 0.47
GABRA4 P48169 2/20 0.47
GABRA6 Q16445 2/20 0.47
MAPT P10636 1/20 0.47
FAAH O00519 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
GABRG2 P18507 1/20 0.44
PTGS1 P23219 1/20 0.44

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
SCHEMBL10821747 0.88 GSR (0.47) GSRGABRA1GABRB1CA1CA2
SCHEMBL2680058 0.84 GSR (0.61) GSRGABRA1GABRB1CA1CA2
SCHEMBL11408652 0.83 ALDH1A1 (0.43) GSRGABRA1GABRB1CA1CA2
SCHEMBL4595014 0.83 GSR (0.55) GSRGABRA1GABRB1CA1CA2
SCHEMBL15922982 0.82 GSR (0.42) GSRGABRA1GABRB1CA1CA2
SCHEMBL2467528 0.81 GSR (0.63) GSRGABRA1GABRB1CA1CA2
SCHEMBL2854879 0.79 GSR (0.61) GSRGABRA1GABRB1CA1CA2
SCHEMBL1121537 0.79 GSR (0.61) GSRGABRA1GABRB1CA1CA2
SCHEMBL10821857 0.77 GSR (0.59) GSRGABRA1GABRB1CA1CA2
SCHEMBL8747787 0.77 GSR (0.59) GSRGABRA1GABRB1CA1CA2

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
CN-109387574-A A kind of separation analysis HPLC method of the phosphorus propofol sodium in relation to substance 陕西合成药业股份有限公司 2019-02-26 CN disclosed
EP-1471920-A4 PROCESS FOR PREPARING WATER-SOLUBLE PHOSPHONOOXYMETHYL DERIVATIVES OF ALCOHOL AND PHENOL GUILFORD PHARM INC (US) 2006-02-15 EP disclosed
EP-1471920-A2 PROCESS FOR PREPARING WATER-SOLUBLE PHOSPHONOOXYMETHYL DERIVATIVES OF ALCOHOL AND PHENOL GUILFORD PHARMACEUTICALS INC. (US) 2004-11-03 EP disclosed
WO-2003059255-A2 PROCESS FOR PREPARING WATER-SOLUBLE PHOSPHONOOXYMETHYL DERIVATIVES OF ALCOHOL AND PHENOL GUILFORD PHARMACEUTICALS, INC. (US) 2003-07-24 WO disclosed
US-4317933-A ALKYLATING TO PRODUCE AN ALDEHYDE SUBSTITUTED PHENOL, ESTERS THEREOF THE GOODYEAR TIRE & RUBBER COMPANY (US) 1982-03-02 US disclosed
US-4091225-A ALKYLATION, REDUCTION, TRANSESTERIFICATION THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-05-23 US disclosed