SCHEMBL6469065

SCHEMBL6469065

CCCCCCCCCCCCCCCCCCC1CN(CC)C(O)=N1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
GRM2 Q14416 4/20 0.36
GBA1 P04062 1/20 0.36
SCN2A Q99250 2/20 0.35
EPHX1 P07099 1/20 0.34
ALOX5 P09917 2/20 0.34
NOS1 P29475 3/20 0.33
NOS2 P35228 3/20 0.33
DAGLA Q9Y4D2 1/20 0.33
CYP1A2 P05177 2/20 0.33
NOS3 P29474 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
SCHEMBL9003549 0.91 EPHX2 (0.36) ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL3668932 0.72 GBA1 (0.41) ALDH1A1GBA1SCN2ANOS1NOS2
SCHEMBL6523176 0.71 NOS3 (0.35) NOS1NOS2NOS3
SCHEMBL18203530 0.68 NOS1 (0.33) GBA1SCN2ANOS1NOS2NOS3
SCHEMBL11648945 0.67 NOS1 (0.37) ALDH1A1GRM2SCN2ANOS1NOS2
SCHEMBL11187236 0.66 GBA1 (0.41) ALDH1A1GBA1NOS1NOS2NOS3
SCHEMBL10339612 0.63 ALDH1A1 (0.44) ALDH1A1SCN2AEPHX1NOS1NOS2
SCHEMBL7569204 0.63 ALDH1A1 (0.46) ALDH1A1GBA1EPHX1ALOX5NOS1
SCHEMBL6278947 0.61 NOS2 (0.44) ALDH1A1SCN2AEPHX1NOS1NOS2
SCHEMBL6403695 0.60 EPHX1 (0.45) ALDH1A1EPHX1NOS1NOS2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581568-A2 MULTI-PURPOSE POLYMERS, METHODS AND COMPOSITIONS Noveon IP Holdings Corp. (US) 2005-10-05 EP disclosed
WO-2004024779-A2 MULTI-PURPOSE CATIONIC AND ASSOCIATIVE POLYMERS AND COMPOSITIONS CONTAINING THEM AND THEIR METHOD OF PREPARATION NOVEON IP HOLDINGS CORP. (US) 2004-03-25 WO disclosed
EP-0906077-A4 SKIN CARE COMPOSITIONS PROCTER & GAMBLE (US) 2001-12-12 EP disclosed
EP-0906077-A1 SKIN CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-04-07 EP disclosed
WO-1997032561-A1 SKIN CARE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-09-12 WO disclosed
EP-0351769-A2 Antistatic laundry detergent composition Colgate-Palmolive Company (US) 1990-01-24 EP disclosed