SCHEMBL8545665

SCHEMBL8545665

CCOC(=O)CCC1(C)C=Cc2cc(OCc3ccc(C(=N)N)cc3)ccc2O1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
TMPRSS6 Q8IU80 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42
F10 P00742 5/20 0.42
ITGB3 P05106 5/20 0.41
ITGA2B P08514 5/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 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
Hydrochloric Acid SCHEMBL6949114 0.99 F2 (0.43) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL6960084 0.89 ITGB3 (0.47) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL6949120 0.84 PPARG (0.42) PPARGPPARDPPARA
Hydrochloric Acid SCHEMBL6948553 0.79 BACE1 (0.43) F2PRSS1F10ITGB3ITGA2B
Hydrochloric Acid SCHEMBL6947178 0.78 KDM4E (0.52) F2F10ITGB3ITGA2BPPARG
SCHEMBL8545396 0.77 PPARD (0.39) PPARGPPARDPPARA
Hydrochloric Acid SCHEMBL6960091 0.74 BACE1 (0.39) PPARGPPARDPPARA
SCHEMBL6948888 0.72 MAPT (0.47)
SCHEMBL6947011 0.69 BACE1 (0.48) ITGB3ITGA2B
SCHEMBL7307240 0.69 ITGB3 (0.54) F2PRSS1PRSS2PRSS3TMPRSS6

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
EP-0804431-A4 GLYCOPROTEIN IIb/IIIa ANTAGONISTS LILLY CO ELI (US) 1998-04-29 EP disclosed
EP-0804431-A1 GLYCOPROTEIN IIb/IIIa ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-11-05 EP disclosed