SCHEMBL8804635

SCHEMBL8804635

COc1ccc(CCl)c(OCC(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.53
PTGDR2 Q9Y5Y4 2/20 0.51
ELANE P08246 4/20 0.50
HSD17B10 Q99714 1/20 0.49
POLB P06746 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PTPN1 P18031 1/20 0.47
F2 P00734 2/20 0.46
PPARD Q03181 2/20 0.44
MCL1 Q07820 1/20 0.44
FFAR1 O14842 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL8901056 0.83 PTPN1 (0.50) LMNATSHRHSD17B10POLBPTPN1
SCHEMBL7848040 0.81 PTGDR2 (0.54) LMNATSHRPTGDR2POLBSMN1; SMN2
SCHEMBL25685569 0.81 POLB (0.64) LMNAPTGDR2ELANEHSD17B10POLB
SCHEMBL4134156 0.80 LMNA (0.58) LMNAPTGDR2HSD17B10POLBSMN1; SMN2
SCHEMBL590943 0.78 APLNR (0.63) TSHR
SCHEMBL2225179 0.78 LMNA (0.57) LMNATSHRPTGDR2POLBSMN1; SMN2
SCHEMBL5394389 0.78 TSHR (0.71) LMNATSHRHSD17B10POLBSMN1; SMN2
SCHEMBL8702709 0.77 LMNA (0.55) LMNATSHRPTGDR2ELANEHSD17B10
SCHEMBL4975454 0.76 PKM (0.64) LMNATSHRPTGDR2ELANEHSD17B10
SCHEMBL28566630 0.76 PPARD (0.67) LMNAPTGDR2ELANEPPARDMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5700807-A Endothelin receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-23 US disclosed
EP-0755934-A1 Endothelin receptor antagonists MERCK PATENT GmbH (DE) 1997-01-29 EP disclosed