SCHEMBL299492

SCHEMBL299492

CCC(C(C)C(C)(C(N)=O)C(C)C)n1ccc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
MAPK1 P28482 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC6A4 P31645 9/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A2 P23975 9/20 0.37
NOTUM Q6P988 1/20 0.36
NTSR1 P30989 1/20 0.36

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
SCHEMBL29743218 0.71 SLC6A4 (0.47) SLC6A4KMT2ASLC6A2NOTUMNTSR1
SCHEMBL1967791 0.71 SLC6A4 (0.47) SLC6A4KMT2ASLC6A2NOTUMNTSR1
SCHEMBL30641461 0.70 SLC6A2 (0.50) LMNAMAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL3374081 0.70 NOTUM (0.47) LMNAMAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL14683431 0.70 NOTUM (0.47) LMNAMAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL299494 0.70 LMNA (0.50) LMNAMAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL299493 0.69 SLC6A2 (0.42) LMNAMAPK1CYP1A2CYP3A4CYP2C19
SCHEMBL30952646 0.69 KMT2A (0.47) MAPK1CYP1A2CYP3A4CYP2C19SLC6A4
SCHEMBL24729036 0.68 SLC6A2 (0.49) SLC6A4SLC6A2
SCHEMBL599150 0.68 SLC6A2 (0.49) SLC6A4SLC6A2

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