SCHEMBL6049694

SCHEMBL6049694

CC(C)c1ccc(CCl)c(C(C)C)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 8/20 0.43
GABRB2 P47870 5/20 0.43
GABRB1 P18505 4/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
LMNA P02545 2/20 0.43
SLC6A2 P23975 2/20 0.43
HTR2B P41595 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
FAAH O00519 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
PTGS1 P23219 1/20 0.43
HTR2C P28335 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43

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
SCHEMBL11554595 0.82 SMN1; SMN2 (0.31) GABRA1GABRG2GABRB3HSP90AB1SMN1; SMN2
SCHEMBL28576004 0.81 GABRA1 (0.43) GABRA1GABRB2GABRB1CA1CA2
SCHEMBL10787304 0.78 GSR (0.49) GABRA1GABRB2GABRB1CA1CA2
SCHEMBL10774955 0.78 GABRA1 (0.41) GABRA1GABRB2GABRB1CA1CA2
SCHEMBL10611980 0.77 GABRA1 (0.56) GABRA1GABRB2GABRB1CA1CA2
SCHEMBL4077375 0.76
SCHEMBL38665314 0.74 TYR (0.49) LMNASLC6A2CYP3A4TSHRPTGS1
SCHEMBL7033022 0.74 GABRA1 (0.48) GABRA1GABRB2GABRB1CA1CA2
SCHEMBL6679675 0.73 GABRA1 (0.52) GABRA1GABRB2GABRB1CA1CA2
SCHEMBL16528064 0.73 GABRA1 (0.52) GABRA1GABRB2GABRB1CA1CA2

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
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