SCHEMBL1848801

SCHEMBL1848801

CCC(OC(=O)CBr)OC(=O)CBr

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.48
ALDH1A1 P00352 1/20 0.48
FAAH O00519 4/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.30
LMNA P02545 2/20 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
SCHEMBL9298460 0.80 TRPA1 (0.48) TRPA1ALDH1A1FAAHCNR1CNR2
SCHEMBL1362097 0.79 CYP2C19 (0.39) ALDH1A1CYP2C19LMNA
SCHEMBL9471232 0.78
SCHEMBL11804451 0.78
SCHEMBL8382943 0.78
SCHEMBL8382940 0.78
SCHEMBL5077849 0.75 TSHR (0.46) TSHRLMNA
SCHEMBL11779908 0.75 FAAH (0.38) FAAHTSHRLMNA
SCHEMBL5930621 0.75 ALDH1A1 (0.52) ALDH1A1TSHRLMNA
SCHEMBL4438144 0.74 TRPA1 (0.46) TRPA1ALDH1A1FAAHCNR1CNR2

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
JP-8183703-A None JP disclosed
EP-1350431-B1 METHOD OF SELECTING ANTIMICROBIAL AGENT AND METHOD OF USING THE SAME KURITA WATER IND LTD (JP) 2011-05-25 EP disclosed
US-20100227332-A1 Method for selecting antimicrobial agent and utilization thereof KURITA WATER INDUSTRIES LTD. 2010-09-09 US disclosed
US-20070117140-A1 Method for selecting antimicrobial agent and utilization thereof KURITA WATER INDUSTRIES LTD. 2007-05-24 US disclosed
US-20040132095-A1 Method of selecting antimicrobial agent and method of using the same KURITA WATER INDUSTRIES LTD. (JP) 2004-07-08 US disclosed
EP-1350431-A1 METHOD OF SELECTING ANTIMICROBIAL AGENT AND METHOD OF USING THE SAME Kurita Water Industries Ltd. (JP) 2003-10-08 EP disclosed
JP-H08183703-A ANTIBACTERIAL AND ANTIFUNGAL COMPOSITION NIPPON SODA CO LTD 1996-07-16 JP disclosed