SCHEMBL9320360

SCHEMBL9320360

OCCN(CCN(CCO)C1CCCCC1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.38
CYP2D6 P10635 6/20 0.36
CYP2C9 P11712 3/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
CYP1A2 P05177 4/20 0.33
CYP2C19 P33261 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HIF1A Q16665 2/20 0.33
ADH1A P07327 2/20 0.33
PHGDH O43175 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
SLC29A1 Q99808 1/20 0.33
FDPS P14324 1/20 0.31
ADH1C P00326 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
SCHEMBL79285 0.97 LTA4H (0.39) LTA4HCYP2D6CYP2C9HSD17B10TSHR
SCHEMBL6567107 0.97 LTA4H (0.39) LTA4HCYP2D6CYP2C9HSD17B10TSHR
SCHEMBL11787675 0.95 LTA4H (0.38) LTA4HCYP2D6CYP2C9HSD17B10TSHR
SCHEMBL522366 0.95 LTA4H (0.37) LTA4HCYP2D6CYP2C9HSD17B10TSHR
SCHEMBL3429371 0.92 OPRM1 (0.35) LTA4HCYP2D6CYP2C9HSD17B10TSHR
SCHEMBL22749520 0.89 MAPT (0.42) LTA4HCYP2D6CYP2C9HSD17B10TSHR
SCHEMBL11209044 0.89 LTA4H (0.36) LTA4HCYP2D6CYP2C9HSD17B10TSHR
SCHEMBL4383611 0.87 LTA4H (0.35) LTA4HCYP2D6CYP2C9HSD17B10TSHR
SCHEMBL3431246 0.87 LTA4H (0.35) LTA4HCYP2D6CYP2C9HSD17B10TSHR
SCHEMBL3426360 0.86 LTA4H (0.34) LTA4HCYP2D6CYP2C9HSD17B10TSHR

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
EP-0342439-B1 Process for the aftertreatment of dyed textile materials BAYER AG (DE) 1994-01-19 EP disclosed
US-4964875-A Process for after-treatment of dyed polyamide textile materials with polyurethane containing quaternary ammonium groups BAYER AKTIENGESELLSCHAFT (DE) 1990-10-23 US disclosed