SCHEMBL10385291

SCHEMBL10385291

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.40
CES1 P23141 4/20 0.40
CA2 P00918 1/20 0.36
FABP3 P05413 3/20 0.35
PPARG P37231 6/20 0.34
PPARD Q03181 6/20 0.34
PPARA Q07869 6/20 0.34
HDAC11 Q96DB2 5/20 0.34
TSHR P16473 4/20 0.34
GPR84 Q9NQS5 4/20 0.34
ALDH1A1 P00352 2/20 0.34
TLR2 O60603 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
FABP4 P15090 2/20 0.34
PTPN1 P18031 2/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
MEN1 O00255 1/20 0.34
ESR1 P03372 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL10385296 0.92 CA1 (0.37) CES2CES1CA2CA1
SCHEMBL2145650 0.83 CES1 (0.33) CES2CES1CA1
Acetic Acid SCHEMBL29714835 0.81 CES1 (0.48) CES2CES1CA2FABP3PPARG
Acetic Acid SCHEMBL123724 0.81 CES1 (0.48) CES2CES1CA2FABP3PPARG
Bicarbonate SCHEMBL28052430 0.81 CES2 (0.48) CES2CES1CA2FABP3PPARG
Acetic Acid SCHEMBL630646 0.81 CES1 (0.48) CES2CES1CA2FABP3PPARG
Oxalic Acid SCHEMBL10749415 0.81 CES2 (0.48) CES2CES1CA2FABP3PPARG
Acetic Acid SCHEMBL3826722 0.81 CES1 (0.48) CES2CES1CA2FABP3PPARG
Acetic Acid SCHEMBL4445253 0.81 CES1 (0.48) CES2CES1CA2FABP3PPARG
SCHEMBL2784343 0.80 CES2 (0.36) CES2CES1CA2FABP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1987005037-A1 ROOM TEMPERATURE VULCANIZABLE ORGANOPOLYSILOXANE COMPOSITIONS AND METHOD FOR MAKING GENERAL ELECTRIC COMPANY (US) 1987-08-27 WO claimed
US-4891402-A Organic silicon-nitrogen compositions and their use as adhesion promoters in room temperature vulcanizable polydiorganosiloxane compositions GENERAL ELECTRIC COMPANY (US) 1990-01-02 US disclosed
WO-1987005037-A1 ROOM TEMPERATURE VULCANIZABLE ORGANOPOLYSILOXANE COMPOSITIONS AND METHOD FOR MAKING GENERAL ELECTRIC COMPANY (US) 1987-08-27 WO disclosed