SCHEMBL8103696

SCHEMBL8103696

NC1CCc2cc(OCC(=O)OCc3ccccc3)ccc2C1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
OPRK1 P41145 1/20 0.45
ACHE P22303 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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 SCHEMBL8088910 0.99 FAAH (0.48) FAAHKDM4ELMNAPOLBITGB3
SCHEMBL10357226 0.82 HSD17B10 (0.62) KDM4EITGB3ITGA2BOPRK1ACHE
SCHEMBL8088608 0.81 KDM4E (0.49) KDM4ELMNAPOLBITGB3ITGA2B
Hydrochloric Acid SCHEMBL7399329 0.80 KDM4E (0.48) KDM4ELMNAPOLBITGB3ITGA2B
SCHEMBL5679478 0.79 ACHE (0.58) KDM4EPOLBACHE
SCHEMBL9518883 0.79 ACHE (0.58) KDM4EPOLBACHE
SCHEMBL5681817 0.79 ACHE (0.58) KDM4EPOLBACHE
SCHEMBL7405121 0.79 CA1 (0.49) FAAHKDM4ELMNAPOLBACHE
Hydrochloric Acid SCHEMBL9443687 0.78 ACHE (0.57) KDM4EPOLBACHE
Hydrochloric Acid SCHEMBL8765234 0.78 ACHE (0.57) KDM4EPOLBACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6117910-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-09-12 US disclosed