SCHEMBL8061007

SCHEMBL8061007

COc1ccc(CC(CO)CCN)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TAAR1 Q96RJ0 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
LDHA P00338 1/20 0.49
MAOB P27338 2/20 0.46
POLB P06746 1/20 0.43
IDO1 P14902 3/20 0.42
AGXT P21549 2/20 0.42

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
SCHEMBL9566881 0.86 SLC6A4 (0.55) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL14402528 0.85 LDHA (0.50) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL345525 0.81 LDHA (0.53) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL28785220 0.77 SLC6A4 (0.61) SLC6A4ALDH1A1TAAR1CYP1A2CYP2D6
SCHEMBL4865413 0.77 SLC6A4 (0.61) SLC6A4ALDH1A1TAAR1CYP1A2CYP2D6
SCHEMBL334385 0.77 SLC6A4 (0.66) SLC6A4TAAR1CYP1A2CYP2D6CYP2C19
SCHEMBL27482362 0.77 TRPA1 (0.47) SLC6A4ALDH1A1TAAR1CYP1A2
SCHEMBL27449475 0.77 TRPA1 (0.47) SLC6A4ALDH1A1TAAR1CYP1A2
SCHEMBL27754378 0.77 TRPA1 (0.47) SLC6A4ALDH1A1TAAR1CYP1A2
SCHEMBL334384 0.77 SLC6A4 (0.66) SLC6A4TAAR1CYP1A2CYP2D6CYP2C19

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-0780358-B1 A process for the resolution of 6-methoxy-alpha-methyl-2-naphthaleneacetic racemic acid into its enantiomers FARCHEMIA SRL (IT) 2000-07-19 EP claimed
EP-0780358-B1 A process for the resolution of 6-methoxy-alpha-methyl-2-naphthaleneacetic racemic acid into its enantiomers FARCHEMIA SRL (IT) 2000-07-19 EP disclosed