SCHEMBL8073008

SCHEMBL8073008

C=CCCc1ccc(OCC)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.54
TSHR P16473 2/20 0.45
SLC5A1 P13866 1/20 0.45
SLC5A2 P31639 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GPR84 Q9NQS5 1/20 0.44
PARP10 Q53GL7 1/20 0.43
RELA Q04206 1/20 0.43
LTA4H P09960 2/20 0.42
THRB P10828 1/20 0.42
MAPT P10636 2/20 0.42
ACACB O00763 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL7860067 0.92 ACACB (0.54) NQO1ACACB
SCHEMBL8062059 0.89 NQO1 (0.50) NQO1TSHRSLC5A1SLC5A2TDP1
SCHEMBL6142102 0.87 ACACB (0.50) NQO1ACACB
SCHEMBL7859035 0.87 ACACB (0.50) NQO1ACACB
SCHEMBL8073326 0.87 NQO1 (0.48) NQO1TSHRTDP1GPR84THRB
SCHEMBL8072488 0.86 NQO1 (0.47) NQO1TSHRTDP1GPR84THRB
SCHEMBL8071184 0.86 NQO1 (0.47) NQO1TSHRTDP1GPR84THRB
SCHEMBL8825658 0.86 NQO1 (0.47) NQO1TSHRTDP1GPR84THRB
SCHEMBL8062766 0.86 NQO1 (0.47) NQO1TSHRTDP1GPR84THRB
SCHEMBL8070952 0.85 LMNA (0.54) SLC5A1SLC5A2LTA4HTHRBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3246324-A2 PHENYL C-GLUCOSIDE DERIVATIVE CONTAINING DEOXYGLUCOSE STRUCTURE, PREPARATION METHOD AND USES THEREOF Tianjin Institute Of Pharmaceutical Research (CN) 2017-11-22 EP disclosed
EP-2933250-B1 PHENYL C-GLUCOSIDE DERIVATIVE CONTAINING DEOXYGLUCOSE STRUCTURE, PREPARATION METHOD AND USE THEREOF TIANJIN INST OF PHARMACEUTICAL RES (CN) 2017-08-09 EP disclosed
US-6063940-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-16 US disclosed
US-5637736-A Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-10 US disclosed
EP-0492474-B1 1,3-Dioxolane derivatives as cholesterol-lowering agents SYNTEX INC (US) 1997-03-05 EP disclosed
US-5466838-A Catalytic reaction of olefin with oxygen in the presence of aldehyde SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-11-14 US disclosed
EP-0540009-B1 Process for producing epoxides SUMITOMO CHEMICAL CO (JP) 1995-08-30 EP disclosed
EP-0637580-A1 Process for preparing 1-bromoalkylbenzene derivatives and intermediates thereof SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1995-02-08 EP disclosed
US-5367087-A Process for producing epoxide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-11-22 US disclosed
EP-0540009-A1 Process for producing epoxides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-05 EP disclosed
US-5158949-A 1,3-DIOXOLANE DERIVATIVES AS CHOLESTEROL-LOWERING AGENTS SYNTEX (U.S.A.) INC. (US) 1992-10-27 US disclosed
EP-0492474-A1 1,3-Dioxolane derivatives as cholesterol-lowering agents SYNTEX (U.S.A.) INC. (US) 1992-07-01 EP disclosed