SCHEMBL10600807

SCHEMBL10600807

CCCCCCCCC(CCC)OC(=O)C1(OCC2CO2)C=CC=CC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDCD4 Q53EL6 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 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
SCHEMBL10602221 0.77 ALDH1A1 (0.34) ALDH1A1
SCHEMBL11436048 0.74 GPR84 (0.34)
SCHEMBL11442855 0.73 ACE2 (0.31) PDCD4
SCHEMBL11439627 0.72 ACE2 (0.31)
SCHEMBL11448440 0.71 ACE2 (0.33)
SCHEMBL11435133 0.71 FFAR4 (0.30)
SCHEMBL9537327 0.69 ALDH1A1 (0.37) ALDH1A1
SCHEMBL21461234 0.64 GPR84 (0.45) ALDH1A1
SCHEMBL11442814 0.64 PRKCA (0.32)
SCHEMBL3388101 0.63 ALDH1A1 (0.55) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0175325-B1 NEW 8-SUBSTITUTED NUCLEOSIDE AND PURINE DERIVATIVES, THE PROCESS FOR THE PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Pierrel S.p.A. (IT) 1989-03-15 EP disclosed
US-4774325-A ANTILIPEMIC AGENTS PIERREL SPA (IT) 1988-09-27 US disclosed
EP-0175325-A2 New 8-substituted nucleoside and purine derivatives, the process for the preparation thereof and the pharmaceutical compositions containing them Pierrel S.p.A. (IT) 1986-03-26 EP disclosed