SCHEMBL299493

SCHEMBL299493

CCN(C(=O)C(C)(C(C)C)C(C)C)n1ccc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.42
NOTUM Q6P988 1/20 0.38
MAPK1 P28482 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.36
NTSR1 P30989 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
P2RX4 Q99571 1/20 0.33

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
SCHEMBL10733096 0.75 SLC6A2 (0.46) SLC6A2NOTUMMAPK1CYP1A2CYP3A4
SCHEMBL299492 0.69 LMNA (0.41) SLC6A2NOTUMMAPK1CYP1A2CYP3A4
SCHEMBL6138111 0.68 NOTUM (0.50) SLC6A2NOTUMMAPK1KMT2ALMNA
SCHEMBL9194042 0.67 SLC6A2 (0.47) SLC6A2NOTUMMAPK1KMT2ARAB9A
SCHEMBL290743 0.66 MAPK1 (0.58) MAPK1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL2692515 0.65 NOTUM (0.59) SLC6A2NOTUMMAPK1CYP1A2CYP3A4
SCHEMBL30954331 0.65 NOTUM (0.59) SLC6A2NOTUMMAPK1CYP1A2CYP3A4
SCHEMBL299235 0.65 MAPK1 (0.68) MAPK1CYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL4102885 0.64 SLC6A2 (0.49) SLC6A2NOTUMMAPK1KMT2ALMNA
SCHEMBL10975857 0.64 NOTUM (0.53) SLC6A2NOTUMMAPK1CYP1A2CYP3A4

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