SCHEMBL11313614

SCHEMBL11313614

CCCCCCCCCCCNc1ccc(C(=O)OCC)c(C(=O)OCC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.48
EGFR P00533 3/20 0.47
TSHR P16473 4/20 0.47
LMNA P02545 4/20 0.47
ALDH1A1 P00352 2/20 0.47
ABL1 P00519 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP3A4 P08684 2/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PNLIP P16233 1/20 0.43
CA12 O43570 2/20 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
SCHEMBL11316361 1.00 PLK1 (0.48) PLK1EGFRTSHRLMNAALDH1A1
SCHEMBL11306884 1.00 PLK1 (0.48) PLK1EGFRTSHRLMNAALDH1A1
SCHEMBL11313529 1.00 PLK1 (0.48) PLK1EGFRTSHRLMNAALDH1A1
SCHEMBL11319758 1.00 PLK1 (0.48) PLK1EGFRTSHRLMNAALDH1A1
SCHEMBL11307809 1.00 PLK1 (0.48) PLK1EGFRTSHRLMNAALDH1A1
SCHEMBL11313424 1.00 PLK1 (0.48) PLK1EGFRTSHRLMNAALDH1A1
SCHEMBL11318044 1.00 PLK1 (0.48) PLK1EGFRTSHRLMNAALDH1A1
SCHEMBL11307880 1.00 PLK1 (0.48) PLK1EGFRTSHRLMNAALDH1A1
SCHEMBL11315370 1.00 PLK1 (0.48) PLK1EGFRTSHRLMNAALDH1A1
SCHEMBL11310309 1.00 PLK1 (0.48) PLK1EGFRTSHRLMNAALDH1A1

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-4245120-A ANTILIPIMIC AGENTS AND ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1981-01-13 US disclosed
US-4245119-A ANTILIPEMIC AGENTS AND ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1981-01-13 US disclosed