SCHEMBL29862183

SCHEMBL29862183

CCN(C)c1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.57
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 1/20 0.44
SLC6A4 P31645 2/20 0.41
CYP2A6 P11509 1/20 0.41
SLC6A2 P23975 1/20 0.41

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
SCHEMBL3232376 1.00 SIGMAR1 (0.57) SIGMAR1CYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL9313557 0.84 SIGMAR1 (0.52) SIGMAR1CYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL16312736 0.82 SIGMAR1 (0.53) SIGMAR1CYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL25971477 0.82 SIGMAR1 (0.58) SIGMAR1CYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL13072277 0.82 SIGMAR1 (0.53) SIGMAR1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL9312711 0.81 HTR1B (0.49) SIGMAR1CYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL517207 0.81 SIGMAR1 (0.54) SIGMAR1CYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL29657743 0.81 SIGMAR1 (0.54) SIGMAR1CYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL14461587 0.81 SIGMAR1 (0.54) SIGMAR1CYP1A2CYP2D6CYP2C19L3MBTL1
SCHEMBL15889291 0.81 CYP1A2 (0.54) SIGMAR1CYP1A2CYP2C19L3MBTL1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025078298-A1 METHODS FOR THE SAMPLING AND AUTHENTICATION OF MARKERS IN PRESSURIZED LIQUIFIED HYDROCARBON PRODUCTS SICPA HOLDING SA (CH) 2025-04-17 WO disclosed
EP-4069807-A1 METHOD FOR DETERMINING AUTHENTICITY AND ADULTERATION OF MARKED PETROLEUM HYDROCARBONS Sicpa Holding SA (CH) 2022-10-12 EP disclosed
EP-4069806-A1 METHOD OF MARKING A PETROLEUM HYDROCARBON Sicpa Holding SA (CH) 2022-10-12 EP disclosed