SCHEMBL6627746

SCHEMBL6627746

COC(C)CNCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PTGS2 P35354 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.35
ECE1 P42892 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32

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
SCHEMBL21708634 0.83 TET2 (0.39) ALDH1A1LMNAMAPTTSHRCYP2C19
SCHEMBL1852852 0.80 EGLN1 (0.40) EGLN1ALDH1A1LMNAMAPTPTGS2
SCHEMBL164110 0.77
SCHEMBL11659340 0.76 GAA (0.45) ALDH1A1LMNAMAPTTSHR
SCHEMBL7077043 0.75
SCHEMBL287612 0.75
Hydrochloric Acid SCHEMBL5886752 0.75 CYP2D6 (0.48) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL287613 0.75
SCHEMBL31198187 0.75 CYP2D6 (0.48) ALDH1A1LMNAMAPTPTGS2TDP1
SCHEMBL7219713 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0960108-B1 MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2004-10-27 EP disclosed
US-6194451-B1 PREVENT RELEASE TUMOR NECROSIS FACTOR; ANTIINFLAMMATORY AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2001-02-27 US disclosed
EP-0960108-A1 MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1999-12-01 EP disclosed
WO-1998033788-A1 MATRIX METALLOPROTEINASE INHIBITORS PHARMACIA & UPJOHN S.P.A. (IT) 1998-08-06 WO disclosed