SCHEMBL1013749

SCHEMBL1013749

CC(C)Cc1cccc(OC(C)[N+](C)(C)Cc2ccccc2)c1CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SLC6A2 P23975 2/20 0.33
TAAR1 Q96RJ0 2/20 0.33
MAOA P21397 2/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CYP2A6 P11509 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
PTGER1 P34995 1/20 0.31
PTGER4 P35408 1/20 0.31
PTGER3 P43115 1/20 0.31
PTGER2 P43116 1/20 0.31

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
Hydrochloric Acid SCHEMBL8958601 0.99 KDM4E (0.37) GABRA1GABRB2TDP1KDM4EALDH1A1
SCHEMBL5360957 0.90 GABRA1 (0.33) GABRA1GABRB2TDP1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL56683 0.89 KDM4E (0.33) GABRA1GABRB2TDP1KDM4EALDH1A1
Water SCHEMBL9229151 0.88 KDM4E (0.33) GABRA1GABRB2TDP1KDM4EALDH1A1
SCHEMBL11863963 0.82 GABRA1 (0.31) GABRA1GABRB2
Hydrochloric Acid SCHEMBL11238931 0.81 KDM4E (0.31) GABRA1GABRB2TDP1KDM4EALDH1A1
SCHEMBL25349713 0.80 GABRA1 (0.35) GABRA1GABRB2TDP1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6662799 0.79 KDM4E (0.36) GABRA1GABRB2TDP1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9724638 0.77 MEN1 (0.40) TDP1KDM4EALDH1A1SLC6A2SLC6A4
Water SCHEMBL27319269 0.74 KDM4E (0.39) GABRA1GABRB2TDP1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794030-B1 COMPOSITIONS COMPRISING GALLATES AND GALLAMIDES COLGATE PALMOLIVE CO (US) 2017-03-15 EP disclosed
EP-2349180-B1 IMPROVED CLEANING ORAL CARE COMPOSITIONS PROCTER & GAMBLE (US) 2013-08-28 EP disclosed
EP-2349191-B1 ORAL CARE COMPOSITIONS COMPRISING SPHERICAL FUSED SILICA PROCTER & GAMBLE (US) 2013-06-19 EP disclosed
EP-2271406-A2 ORAL CARE COMPOSITION CONTAINING OXIDASE ENZYME Danisco US Inc. (US) 2011-01-12 EP disclosed
WO-2009131799-A2 ORAL CARE COMPOSITION CONTAINING OXIDASE ENZYME DANISCO US INC., GENENCOR DIVISION (US) 2009-10-29 WO disclosed
EP-0149409-B1 PLATE DISCLOSING AGENT VIPONT PHARMACEUTICAL, INC. (US) 1991-04-10 EP disclosed
EP-0149409-A2 Plate disclosing agent VIPONT PHARMACEUTICAL, INC. (US) 1985-07-24 EP disclosed