SCHEMBL11209044

SCHEMBL11209044

OCCN(CCCCCCN(CCO)C1CCCCC1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
CYP2D6 P10635 4/20 0.33
SLC29A1 Q99808 3/20 0.33
CYP2C9 P11712 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ADH1A P07327 1/20 0.31
PHGDH O43175 1/20 0.30
OPRM1 P35372 1/20 0.30

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
SCHEMBL23736366 0.94 LTA4H (0.33) LTA4HSIGMAR1DRD2DRD4DRD3
SCHEMBL23736383 0.94 LTA4H (0.33) LTA4HSIGMAR1DRD2DRD4DRD3
SCHEMBL23736374 0.91 LTA4H (0.33) LTA4HDRD2DRD4DRD3CYP2D6
SCHEMBL6567107 0.91 LTA4H (0.39) LTA4HCYP2D6SLC29A1CYP2C9HSD17B10
SCHEMBL79285 0.91 LTA4H (0.39) LTA4HCYP2D6SLC29A1CYP2C9HSD17B10
SCHEMBL3426360 0.89 LTA4H (0.34) LTA4HDRD2DRD4DRD3CYP2D6
SCHEMBL11787675 0.89 LTA4H (0.38) LTA4HCYP2D6SLC29A1CYP2C9HSD17B10
SCHEMBL9320360 0.89 LTA4H (0.38) LTA4HCYP2D6SLC29A1CYP2C9HSD17B10
SCHEMBL522366 0.89 LTA4H (0.37) LTA4HCYP2D6SLC29A1CYP2C9HSD17B10
SCHEMBL1548847 0.86 CYP2D6 (0.35) LTA4HDRD2DRD4DRD3CYP2D6

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
US-4405705-A HYDROPHILIC TOYO BOSEKI KABUSHIKI KAISHA T/A TOYOBA CO., LTD. (JP) 1983-09-20 US disclosed
US-4187112-A Photosensitive plate containing nitrogen containing condensation type polyesters TOYOBO CO., LTD. (JP) 1980-02-05 US disclosed