SCHEMBL11846005

SCHEMBL11846005

CC1(OC(=O)c2cccc3c2Cc2ccccc2O3)CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 2/20 0.41
SCN2A Q99250 2/20 0.41
SCN3A Q9NY46 2/20 0.41
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
ALOX5 P09917 2/20 0.36
TRPA1 O75762 4/20 0.36
CYP19A1 P11511 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ACSL1 P33121 1/20 0.32
MAPT P10636 1/20 0.31
MAPKAPK2 P49137 1/20 0.30

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
SCHEMBL11857161 0.81 TRPA1 (0.37) SCN1ASCN2ASCN3ATRPA1ACSL1
SCHEMBL820383 0.79 TRPA1 (0.53) MAOAMAOBALOX5TRPA1KDM4E
SCHEMBL15463348 0.78 TRPA1 (0.52) MAOAMAOBALOX5TRPA1KDM4E
SCHEMBL10824510 0.78 TRPA1 (0.52) MAOAMAOBALOX5TRPA1KDM4E
SCHEMBL7460479 0.78 TRPA1 (0.52) MAOAMAOBALOX5TRPA1KDM4E
Calcium SCHEMBL11450375 0.78 TRPA1 (0.52) MAOAMAOBALOX5TRPA1KDM4E
Potassium SCHEMBL3084615 0.78 TRPA1 (0.52) MAOAMAOBALOX5TRPA1KDM4E
SCHEMBL304215 0.77 SCN1A (0.52) SCN1ASCN2ASCN3ACYP19A1KDM4E
SCHEMBL31192379 0.77 SCN1A (0.52) SCN1ASCN2ASCN3ACYP19A1KDM4E
SCHEMBL9856147 0.76 MAOA (0.37) MAOAMAOBALOX5TRPA1CYP19A1

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
US-3976769-A INSECTICIDE AIRWICK INDUSTRIES, INC. (US) 1976-08-24 US disclosed