SCHEMBL8009877

SCHEMBL8009877

CCOC(=O)CCc1cc(O)n[nH]1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.45
CYP4A11 Q02928 3/20 0.45
MAPT P10636 1/20 0.45
HCAR2 Q8TDS4 6/20 0.44
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42
HCAR3 P49019 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
P2RY12 Q9H244 1/20 0.41
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5599296 0.85 HCAR2 (0.65) HCAR2HCAR3
SCHEMBL3211090 0.81 CYP4F2 (0.41) CYP4F2CYP4A11MAPTHCAR2LMNA
SCHEMBL3204772 0.79 CYP4F2 (0.39) CYP4F2CYP4A11MAPTHCAR2LMNA
SCHEMBL5107095 0.79 PDE3B (0.40) CYP4F2CYP4A11MAPTHCAR2LMNA
SCHEMBL27773485 0.75 CYP1A2 (0.44) CYP4F2CYP4A11HCAR2ALDH1A1KDM4E
SCHEMBL22077971 0.74
SCHEMBL8010853 0.74 PDE3B (0.39) CYP4F2CYP4A11MAPTHCAR2ALDH1A1
SCHEMBL12999481 0.73 ALDH1A1 (0.45) MAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL24082741 0.71 HCAR2 (0.43) MAPTHCAR2LMNAALDH1A1KDM4E
SCHEMBL1078882 0.71 CYP4F2 (0.51) CYP4F2CYP4A11MAPTLMNAALDH1A1

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
WO-2000027394-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2000-05-18 WO disclosed