SCHEMBL10609784

SCHEMBL10609784

CCCCCCSCC(=O)[O-].CCCCCCSCC(=O)[O-].CCCC[Sn+2]CCCC

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 6/20 0.55
GMNN O75496 1/20 0.55
TP53 P04637 1/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
THRB P10828 1/20 0.55
CYP2C9 P11712 1/20 0.55
BLM P54132 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CES1 P23141 8/20 0.49
FAAH O00519 4/20 0.49
PLA2G6 O60733 1/20 0.49
CA2 P00918 1/20 0.37
FABP3 P05413 2/20 0.36
CA1 P00915 1/20 0.35

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
SCHEMBL11806311 1.00 CES2 (0.55) CES2GMNNTP53POLBMAPT
SCHEMBL5367160 1.00 CES2 (0.55) CES2GMNNTP53POLBMAPT
SCHEMBL30646056 0.97 CES2 (0.55) CES2GMNNTP53POLBMAPT
SCHEMBL11734833 0.93 CES2 (0.50) CES2GMNNTP53POLBMAPT
SCHEMBL11881042 0.93 CES1 (0.46) CES2GMNNTP53POLBMAPT
SCHEMBL11881881 0.91 FABP3 (0.51) CES2GMNNTP53POLBMAPT
SCHEMBL749231 0.88 CES2 (0.42) CES2GMNNTP53POLBMAPT
SCHEMBL16344627 0.87 CES2 (0.60) CES2GMNNTP53POLBMAPT
SCHEMBL18207993 0.87 CES2 (0.60) CES2GMNNTP53POLBMAPT
SCHEMBL18207978 0.87 CES2 (0.60) CES2GMNNTP53POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4764599-A INK PIGMENTS, SURFACE COATING, PLASTICS-SULFUR-FREE BASF AKTIENGESELLSCHAFT (DE) 1988-08-16 US disclosed
US-4725690-A Perylene-3,4,9,10-tetracarboxylic acid diimide dye BASF AKTIENGESELLSCHAFT (DE) 1988-02-16 US disclosed
US-4609726-A Disazo dyes derived from 3,3'-dihalo-5,5'-dichlorobenzidine BASF AKTIENGESELLSCHAFT (DE) 1986-09-02 US disclosed
US-4450273-A BLACK PIGMENT FOR INKS, COATINGS AND THERMOPLASTICS; COLORFASTNESS; WEATHERPROOFING BASF AKTIENGESELLSCHAFT (DE) 1984-05-22 US disclosed