SCHEMBL7848615

SCHEMBL7848615

CCC(C)Oc1cccc([Mg]Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MTNR1A P48039 10/20 0.37
MTNR1B P49286 10/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
GRM2 Q14416 1/20 0.34
MCHR1 Q99705 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL7848640 0.82 RXRA (0.42) GAAALDH1A1
SCHEMBL11665507 0.82 GPBAR1 (0.55) GPBAR1CYSLTR1GAAHSD17B10MTNR1A
SCHEMBL7848555 0.79 ACACB (0.38) GPBAR1CYSLTR1MTNR1AMTNR1BMCHR1
SCHEMBL10249607 0.77 OGG1 (0.51) GPBAR1CYSLTR1ALDH1A1MAPT
SCHEMBL19665952 0.77 GPBAR1 (0.46) GPBAR1CYSLTR1GAAHSD17B10MTNR1A
SCHEMBL2092088 0.77 GPBAR1 (0.48) GPBAR1CYSLTR1GAAHSD17B10MTNR1A
SCHEMBL13791767 0.75 MTNR1A (0.59) GPBAR1CYSLTR1MTNR1AMTNR1BTSHR
SCHEMBL21225856 0.75 DRD1 (0.42) GAAMAPT
SCHEMBL13791121 0.75 ACHE (0.50) GPBAR1CYSLTR1GAAHSD17B10ALDH1A1
SCHEMBL13791679 0.75 MTNR1A (0.59) GPBAR1CYSLTR1MTNR1AMTNR1BTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0953564-B1 Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS CO LTD (JP) 2001-06-13 EP disclosed
EP-0854135-B1 Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS CO LTD (JP) 2000-02-02 EP disclosed
US-5998652-A Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS CO., LTD. (JP) 1999-12-07 US disclosed
EP-0953564-A1 Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1999-11-03 EP disclosed
EP-0854135-A2 Process for preparing 2-cyanobiphenyl compound SUMIKA FINE CHEMICALS Co., Ltd. (JP) 1998-07-22 EP disclosed