SCHEMBL10583240

SCHEMBL10583240

C=CCNCCCN(CC=C)CCCNCC=C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.33
SMOX Q9NWM0 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
TDP1 Q9NUW8 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 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
Hydrochloric Acid SCHEMBL29392001 0.98 SMOX (0.35) PAOXSMOXBCHEACHEOPRM1
SCHEMBL4314761 0.95 PAOX (0.33) PAOXSMOXTDP1
SCHEMBL10578837 0.91 PAOX (0.35) PAOXSMOXBCHEACHE
SCHEMBL10942175 0.89 PAOX (0.37) PAOXSMOXBCHEACHE
SCHEMBL10352910 0.87 PAOX (0.35) PAOXSMOXBCHEACHE
SCHEMBL7648763 0.87 PAOX (0.35) PAOXSMOXBCHEACHE
SCHEMBL11074655 0.86 TDP1 (0.35) PAOXBCHEACHETDP1
SCHEMBL10578842 0.85 PAOX (0.34) PAOXSMOXBCHEACHETDP1
SCHEMBL18465506 0.82 TDP1 (0.36) TDP1
SCHEMBL9699428 0.82 TDP1 (0.33) TDP1OPRM1OPRD1OPRK1

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
US-4851524-A SLUDGE DISPERSANTS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1989-07-25 US disclosed