SCHEMBL5801232

SCHEMBL5801232

NC1CCCCN1CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.40
ACE P12821 2/20 0.34
OPRL1 P41146 2/20 0.33
OGFRL1 Q5TC84 2/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CHRM2 P08172 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31

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
Bicarbonate SCHEMBL28006850 0.82 ALDH1A1 (0.38) ALDH1A1LMNAOPRD1
SCHEMBL1527304 0.78 CYP1A2 (0.50) LTA4HALDH1A1LMNAOPRD1
SCHEMBL6372054 0.77 POLB (0.39) LTA4HLMNA
SCHEMBL5509059 0.76 SMN1; SMN2 (0.46) LTA4HACELMNAHSD17B10
SCHEMBL28657931 0.76 LTA4H (0.40) LTA4HACEOPRL1OGFRL1ALDH1A1
SCHEMBL12465662 0.76 CHRM2 (0.51) ALDH1A1KDM4EMEN1HPGDKMT2A
Hydrochloric Acid SCHEMBL4046013 0.74 ALDH1A1 (0.35) ALDH1A1CHRM2
SCHEMBL17266473 0.74 LTA4H (0.48) LTA4HOPRL1OGFRL1ALDH1A1MEN1
SCHEMBL15779084 0.74 LTA4H (0.41) LTA4HACEOGFRL1OPRD1
Hydrochloric Acid SCHEMBL6661667 0.74 CHRM2 (0.50) ALDH1A1KDM4EMEN1HPGDKMT2A

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-2015135082-A1 BRADYKININ RECEPTOR B1 TARGETING PROBES BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2015-09-17 WO disclosed
WO-2006082200-A1 METHOD FOR DIRECTLY PREPARING AMINO-ALCOHOLS OR ALCOHOLS USING HALOGENOZINC HYDRIDES ISOCHEM (FR) 2006-08-10 WO disclosed