SCHEMBL299494

SCHEMBL299494

CCC(C)(Cn1ccc2ccccc21)C(C)(C(N)=O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 2/20 0.43
CDK4 P11802 4/20 0.43
CCND1 P24385 4/20 0.43
NTSR1 P30989 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTT P42858 2/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL4596619 0.71 KMT2A (0.58) LMNAMAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL299492 0.70 LMNA (0.41) LMNAMAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL18405592 0.70 CDK4 (0.57) LMNAMAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL13157277 0.70 CDK4 (0.57) LMNAMAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL418336 0.70 CDK4 (0.61) LMNAMAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL299235 0.68 MAPK1 (0.68) LMNAMAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL7349228 0.68 LMNA (1.00) LMNAMAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL23844605 0.67 LMNA (0.65) LMNAMAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL10165541 0.67 LMNA (0.65) LMNAMAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL1519806 0.67 KMT2A (0.71) LMNAMAPK1CYP1A2CYP3A4CYP2C19

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
EP-2427170-A2 ORGANIC COMPOUNDS HAVING COOLING PROPERTIES Givaudan SA (CH) 2012-03-14 EP claimed