SCHEMBL1121802

SCHEMBL1121802

CCCCCCC(C(=O)O)c1cc2c(Cl)c(Br)ccc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LCK P06239 1/20 0.35
PPARD Q03181 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
CPB2 Q96IY4 2/20 0.34
GSK3B P49841 2/20 0.33
PTGS2 P35354 2/20 0.33
MEN1 O00255 1/20 0.33
ABCC4 O15439 1/20 0.33
C5 P01031 1/20 0.33
MAPT P10636 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
SCHEMBL1121935 0.78 LCK (0.35) CYP1A2LCKPPARDZDHHC20ZDHHC2
SCHEMBL1122110 0.78 HDAC3 (0.41) CYP1A2CYP2C19LCKPPARDZDHHC20
SCHEMBL1121916 0.78 GRIN1 (0.45) CPB2GSK3BMAPTCPB1
SCHEMBL1121989 0.75 CPB2 (0.35) LCKPPARDZDHHC20ZDHHC2CPB2
SCHEMBL1122054 0.75 ALOX15 (0.51) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL1121804 0.73 DRD2 (0.46) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL19182733 0.73 DRD2 (0.46) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL1122062 0.73 ITGB3 (0.38) KDM4ELCKPPARDZDHHC20ZDHHC2
SCHEMBL1121894 0.72 GPR84 (0.34) LCKPPARDZDHHC20ZDHHC2CPB2
SCHEMBL1122186 0.71 DAO (0.39) MAPT

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
US-9328373-B2 Detection of Salmonella lactose+ RAMBACH ALAIN (FR) 2016-05-03 US claimed
EP-1931796-B9 DETECTION OF SALMONELLA LACTOSE+ RAMBACH ALAIN (FR) 2011-06-08 EP claimed
EP-1931796-B1 DETECTION OF SALMONELLA LACTOSE+ RAMBACH ALAIN (FR) 2011-02-09 EP claimed
US-20100297690-A1 Detection of salmonella lactose+ RAMBACH ALAIN 2010-11-25 US claimed
US-9328373-B2 Detection of Salmonella lactose+ RAMBACH ALAIN (FR) 2016-05-03 US disclosed
US-20100297690-A1 Detection of salmonella lactose+ RAMBACH ALAIN 2010-11-25 US disclosed