SCHEMBL8379474

SCHEMBL8379474

CCN(C)C(O)COCCN(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
HSD17B10 Q99714 1/20 0.34
SPHK1 Q9NYA1 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRM3 P20309 1/20 0.32
CHRNA4 P43681 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
DNM1 Q05193 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
SCHEMBL7531837 0.76 HSD17B10 (0.41) CA12CA1CA2CA9HSD17B10
SCHEMBL20041604 0.75 HSD17B10 (0.41) CA12CA1CA2CA9HSD17B10
SCHEMBL7204254 0.75 HSD17B10 (0.41) CA12CA1CA2CA9HSD17B10
SCHEMBL4537695 0.74 HSD17B10 (0.56) CA12CA1CA2CA9HSD17B10
SCHEMBL22184548 0.74 HSD17B10 (0.56) CA12CA1CA2CA9HSD17B10
SCHEMBL6897340 0.73
SCHEMBL19577727 0.73 HSD17B10 (0.40) CA12CA1CA2CA9HSD17B10
SCHEMBL4203079 0.72 CA12 (0.38) CA12CA1CA2CA9HSD17B10
SCHEMBL8066287 0.72 CA12 (0.47) CA12CA1CA2CA9HSD17B10
SCHEMBL18687140 0.72 CA12 (0.35) CA12CA1CA2CA9HSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5189073-A From polyetheramine and polyisocyanate; using tertiary amine catalyst and halogen-free blowing agent TEXACO CHEMICAL CO. (US) 1993-02-23 US claimed
EP-0902039-A1 Polyurea foam made from a partially aminated polyether polyamine Huntsman Petrochemical Corporation (US) 1999-03-17 EP disclosed
US-5700846-A Polyurea foam made from a partially aminated polyether polyamine HUNTSMAN PETROCHEMICAL CORPORATION (US) 1997-12-23 US disclosed
US-5189073-A From polyetheramine and polyisocyanate; using tertiary amine catalyst and halogen-free blowing agent TEXACO CHEMICAL CO. (US) 1993-02-23 US disclosed