SCHEMBL8395168

SCHEMBL8395168

CCNCCN(C=O)CCNCC

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
KDM1A O60341 5/20 0.37
TP53 P04637 1/20 0.35
ADH1B P00325 1/20 0.31
ADH1A P07327 1/20 0.31
ADH7 P40394 1/20 0.31
SAT1 P21673 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
SCHEMBL1830736 0.90 CYP2C19 (0.36) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL19595488 0.80 ABCB11 (0.31)
SCHEMBL1831649 0.77
SCHEMBL4686373 0.76 PRMT3 (0.46)
SCHEMBL11812813 0.75 TSHR (0.42) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL23468529 0.73 CYP2C19 (0.50) CYP2C19MEN1GLAKMT2ACYP1A2
SCHEMBL1830782 0.73 PRMT3 (0.39) ADH1BADH1AADH7
SCHEMBL19292968 0.72 ADH1A (0.31) ADH1BADH1AADH7
SCHEMBL2916 0.71
SCHEMBL1537292 0.71 CYP2C19 (0.47) CYP2C19MEN1GLAKMT2ACYP1A2

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-5973094-A Functional polymers WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-26 US disclosed
EP-0794199-A2 Novel functional polymers WAKO PURE CHEMICAL INDUSTRIES, LTD (JP) 1997-09-10 EP disclosed