SCHEMBL6682167

SCHEMBL6682167

CC(=O)CCCCCC(=O)OCC#Cc1cc(F)c2ncc(C(=O)NCc3ccc(Cl)cc3)c(O)c2c1.[NaH]

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 5/20 0.37
NR3C1 P04150 1/20 0.36
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.33
CNR2 P34972 2/20 0.33
KLKB1 P03952 1/20 0.33
GSK3B P49841 1/20 0.33
THRB P10828 1/20 0.33
POLA1 P09884 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
SCHEMBL6684918 0.87 NR3C1 (0.38) EGLN1NR3C1SMN1; SMN2ALDH1A1
SCHEMBL6200835 0.87 NR3C1 (0.33) EGLN1NR3C1LMNASMN1; SMN2CNR2
SCHEMBL6200529 0.86 NR3C1 (0.33) EGLN1NR3C1LMNASMN1; SMN2CNR2
SCHEMBL6196660 0.85 NR3C1 (0.42) EGLN1NR3C1LMNASMN1; SMN2CNR2
SCHEMBL6200831 0.85 NR3C1 (0.33) EGLN1NR3C1
SCHEMBL6682851 0.84 EGLN1 (0.38) EGLN1NR3C1LMNASMN1; SMN2ALDH1A1
SCHEMBL6199593 0.82 EGLN1 (0.39) EGLN1NR3C1LMNASMN1; SMN2CNR2
SCHEMBL6199909 0.82 EGLN1 (0.43) EGLN1NR3C1LMNACNR2GSK3B
SCHEMBL6197241 0.82 EGLN1 (0.43) EGLN1NR3C1LMNASMN1; SMN2ALDH1A1
SCHEMBL6200031 0.81 MEN1 (0.41) EGLN1NR3C1ALDH1A1CNR2

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
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO disclosed