SCHEMBL7649223

SCHEMBL7649223

CCCC/C(=C(/C)C(N)=O)N(CC)CC.CCCC/C=C(\C(N)=O)N(CC)CC

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.32
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
SOAT1 P35610 1/20 0.31
KMT2A Q03164 1/20 0.31
GRIK1 P39086 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
SCHEMBL28159724 0.85 CES1 (0.39) FAAHMEN1TP53CYP1A2CYP3A4
SCHEMBL2505681 0.85 GRIK1 (0.38) FAAHMEN1TP53CYP1A2CYP3A4
SCHEMBL2502247 0.85 CES1 (0.39) FAAHMEN1TP53CYP1A2CYP3A4
SCHEMBL1042978 0.75 GRIK1 (0.34) FAAHMEN1TP53CYP1A2CYP3A4
SCHEMBL2210988 0.75 LMNA (0.37)
SCHEMBL736602 0.75 LMNA (0.37)
SCHEMBL4978414 0.74 GRIK1 (0.37) FAAHMEN1TP53CYP1A2CYP3A4
SCHEMBL4977299 0.74 CA12 (0.42) FAAHMEN1TP53CYP1A2CYP3A4
SCHEMBL10423554 0.74 CES1 (0.38) FAAHMEN1TP53CYP1A2CYP3A4
SCHEMBL6450874 0.74 CA1 (0.42) FAAHMEN1TP53CYP1A2CYP3A4

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-20020120086-A1 Quaternary polymers with functional amine groups field of the invention BAYER AKTIENGESELLSCHAFT (DE) 2002-08-29 US disclosed