SCHEMBL5360957

SCHEMBL5360957

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.33
GABRB2 P47870 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
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SLC6A2 P23975 2/20 0.30
TAAR1 Q96RJ0 2/20 0.30
MAOA P21397 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
CYP2A6 P11509 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 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
Hydrochloric Acid SCHEMBL56683 0.99 KDM4E (0.33) GABRA1GABRB2PTGER1PTGER4PTGER3
Water SCHEMBL9229151 0.98 KDM4E (0.33) GABRA1GABRB2PTGER1PTGER4PTGER3
SCHEMBL25349713 0.91 GABRA1 (0.35) GABRA1GABRB2PTGER1PTGER4PTGER3
Hydrochloric Acid SCHEMBL6662799 0.90 KDM4E (0.36) GABRA1GABRB2PTGER1PTGER4PTGER3
SCHEMBL1013749 0.90 GABRA1 (0.36) GABRA1GABRB2PTGER1PTGER4PTGER3
Hydrochloric Acid SCHEMBL8958601 0.89 KDM4E (0.37) GABRA1GABRB2PTGER1PTGER4PTGER3
Hydrochloric Acid SCHEMBL1843352 0.81 ACHE (0.32) GABRA1GABRB2
Hydrochloric Acid SCHEMBL11142161 0.78 GABRA1 (0.32) GABRA1GABRB2ALDH1A1
SCHEMBL11863963 0.78 GABRA1 (0.31) GABRA1GABRB2
Hydrochloric Acid SCHEMBL11238931 0.77 KDM4E (0.31) GABRA1GABRB2KDM4EALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7259133-B2 Fabric care compositions for lipophilic fluid systems containing an antimicrobial agent THE PROCTER & GAMBLE COMPANY (US) 2007-08-21 US disclosed
US-7220715-B2 Fabric care compositions for lipophilic fluid systems incorporating an antimicrobial agent THE PROCTER & GAMBLE CO. (US) 2007-05-22 US disclosed
US-20060123562-A1 Fabric care compositions for lipophilic fluid systems incorporating an antimicrobial agent GHOSH CHANCHAL K 2006-06-15 US disclosed
EP-1639184-A1 FABRIC CARE COMPOSITIONS FOR LIPOPHILIC FLUID SYSTEMS INCORPORATING AN ANTIMICROBIAL AGENT THE PROCTER & GAMBLE COMPANY (US) 2006-03-29 EP disclosed
WO-2005003436-A1 FABRIC CARE COMPOSITIONS FOR LIPOPHILIC FLUID SYSTEMS INCORPORATING AN ANTIMICROBIAL AGENT THE PROCTER & GAMBLE COMPANY (US) 2005-01-13 WO disclosed
US-20040261195-A1 Fabric care compositions for lipophilic fluid systems containing an antimicrobial agent THE PROCTER & GAMBLE COMPANY 2004-12-30 US disclosed
US-20040261196-A1 Fabric care compositions for lipophilic fluid systems incorporating an antimicrobial agent THE PROCTER & GAMBLE COMPANY 2004-12-30 US disclosed
EP-0520160-A1 Process for antimicrobial treatment of polyurethane BOC HEALTH CARE, Inc. (US) 1992-12-30 EP disclosed