SCHEMBL3403500

SCHEMBL3403500

CCCCCC(CCCc1ccccc1)NC(N)=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.52
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HPGD P15428 2/20 0.47
CTSK P43235 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
S1PR2 O95136 1/20 0.45
S1PR1 P21453 1/20 0.45
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44

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
SCHEMBL3403504 0.86 CSNK1E (0.54) CNR2
SCHEMBL18844106 0.79 PLA2G2C (0.50) MEN1KMT2A
SCHEMBL28755314 0.79 PLA2G2C (0.50) MEN1KMT2A
SCHEMBL24026188 0.79 PLA2G2C (0.50) MEN1KMT2A
SCHEMBL17971188 0.79 PLA2G2C (0.50) MEN1KMT2A
SCHEMBL12986367 0.79 SMN1; SMN2 (0.56) CYP1A2CYP2C9CYP2C19HPGDSMN1; SMN2
SCHEMBL13306295 0.78 HDAC3 (0.57)
SCHEMBL20019784 0.78 PLA2G2C (0.45)
SCHEMBL26295447 0.77 ITGB3 (0.52) SMN1; SMN2MEN1KMT2A
SCHEMBL8904064 0.77 GRIK1 (0.60) CNR2HPGD

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-2254126-A1 Organogel for electrical cable insulating layer Nexans (FR) 2010-11-24 EP disclosed
EP-2254127-A1 Organogel for electrical cable insulating layer Nexans (FR) 2010-11-24 EP disclosed