SCHEMBL11220734

SCHEMBL11220734

CCCCCCCC[Sn+2]CCCCCCCC.O=C([O-])CCCCCO.O=C([O-])CCCCCO

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 7/20 0.53
CA1 P00915 1/20 0.50
CES2 O00748 3/20 0.47
CES1 P23141 3/20 0.47
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL11171496 0.95 CA1 (0.52) FABP3CA1CES2CES1LMNA
Octanoic Acid SCHEMBL18420918 0.93 FABP3 (0.60) FABP3CA1CES2CES1
Adipic Acid SCHEMBL6685723 0.93 FABP3 (0.60) FABP3CA1CES2CES1
Dodecanoate SCHEMBL4449154 0.93 FABP3 (0.60) FABP3CA1CES2CES1
Adipic Acid SCHEMBL8369794 0.93 FABP3 (0.60) FABP3CA1CES2CES1
Stearic Acid SCHEMBL8399877 0.93 FABP3 (0.60) FABP3CA1CES2CES1
Octanoic Acid SCHEMBL916529 0.93 FABP3 (0.60) FABP3CA1CES2CES1
Hexanoate SCHEMBL6440248 0.93 FABP3 (0.60) FABP3CA1CES2CES1
Stearic Acid SCHEMBL4454259 0.93 FABP3 (0.60) FABP3CA1CES2CES1
Dodecanoate SCHEMBL31452874 0.93 FABP3 (0.60) FABP3CA1CES2CES1

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-4332927-A SOLUBLE, NON-HYDROLYZING TIN CATALYST CASCHEM, INC. (US) 1982-06-01 US disclosed