SCHEMBL8501640

SCHEMBL8501640

CC(C)CCCCCSCCC(=O)[O-].CC(C)CCCCCSCCC(=O)[O-].CCCC[Sn+2]CCCC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.41
CA1 P00915 5/20 0.40
NFKB1 P19838 1/20 0.39
CA2 P00918 3/20 0.36
CES2 O00748 1/20 0.35
GMNN O75496 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
CYP2C9 P11712 1/20 0.35
BLM P54132 1/20 0.35
HSD17B10 Q99714 1/20 0.35
FABP3 P05413 3/20 0.33
BHMT Q93088 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
SCHEMBL8998738 0.89 GPR84 (0.39) GPR84CA1NFKB1CA2CES2
SCHEMBL749231 0.87 CES2 (0.42) GPR84CA1NFKB1CA2CES2
SCHEMBL7625556 0.86 CES2 (0.41) GPR84CA1NFKB1CA2CES2
SCHEMBL9246784 0.85 NFKB1 (0.49) GPR84CA1NFKB1CA2FABP3
SCHEMBL748704 0.85 CA1 (0.47) GPR84CA1NFKB1CA2BHMT
SCHEMBL18261904 0.85 NFKB1 (0.49) GPR84CA1NFKB1CA2FABP3
SCHEMBL9621291 0.85 NFKB1 (0.49) GPR84CA1NFKB1CA2FABP3
SCHEMBL17472939 0.85 CA1 (0.50) GPR84CA1NFKB1CA2BHMT
SCHEMBL10592362 0.85 CA1 (0.50) GPR84CA1NFKB1CA2BHMT
SCHEMBL11877986 0.85 CA1 (0.45) CA1NFKB1CA2CES2FABP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5969015-A FOR ENHANCING PERFORMANCE PROPERTIES OF LUBRICANTS, HYDRAULIC FLUIDS OR METAL PROCESSING FLUIDS WITCO VINYL ADDITIVES GMBH (DE) 1999-10-19 US disclosed