SCHEMBL4031478

SCHEMBL4031478

O=C(O)[C@@H]1CCCN1CF

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 2/20 0.42
REN P00797 3/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
F2 P00734 1/20 0.41
LTA4H P09960 1/20 0.41
MAPT P10636 1/20 0.41
PEPD P12955 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGS1 P23219 1/20 0.41
HTR2A P28223 1/20 0.41
PTGS2 P35354 1/20 0.41
HRH1 P35367 1/20 0.41
THPO P40225 1/20 0.41
PMP22 Q01453 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4027303 1.00 ACE (0.43) ACECYP1A2CYP2C19RENLMNA
SCHEMBL28235237 0.94 SMN1; SMN2 (0.46) ACECYP1A2CYP2C19RENLMNA
SCHEMBL8768615 0.81 ACE (0.44) ACECYP1A2CYP2C19RENLMNA
SCHEMBL1860361 0.81 ACE (0.44) ACECYP1A2CYP2C19RENLMNA
SCHEMBL3721761 0.79 ACE (0.43) ACECYP1A2CYP2C19RENLMNA
SCHEMBL3771340 0.79 ACE (0.45) ACECYP1A2CYP2C19RENLMNA
SCHEMBL2275704 0.79 ALDH1A1 (0.47) ACECYP1A2CYP2C19RENLMNA
SCHEMBL28452245 0.79 ACE (0.43) ACECYP1A2CYP2C19RENLMNA
SCHEMBL151570 0.79 ALDH1A1 (0.47) ACECYP1A2CYP2C19RENLMNA
SCHEMBL7048989 0.79 ACE (0.43) ACECYP1A2CYP2C19RENLMNA

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-2009100360-A1 STABILIZATION OF THE COLLAGEN TRIPLE HELIX BY O-METHYLATION OF HYDROXYPROLINE RESIDUES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-08-13 WO disclosed