SCHEMBL10697350

SCHEMBL10697350

C=CCC(S)C(=O)[O-].C=CCC(S)C(=O)[O-].CCCC[Sn+2]CCCC

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
FAAH O00519 1/20 0.33
TSHR P16473 1/20 0.33
CA2 P00918 2/20 0.33
CES2 O00748 4/20 0.31
CES1 P23141 4/20 0.31
FABP3 P05413 5/20 0.31

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
SCHEMBL10700150 0.82 CA1 (0.34) CA1FAAHTSHRCA2CES2
SCHEMBL9064893 0.81 CA2 (0.41) CA1FAAHTSHRCA2
SCHEMBL21333565 0.81 CA2 (0.41) CA1TSHRCA2CES2CES1
SCHEMBL10700014 0.81 CPA1 (0.32)
SCHEMBL11810632 0.80 CA2 (0.44) CA1TSHRCA2CES2CES1
SCHEMBL9856766 0.79 CA1 (0.42) CA1TSHRCA2CES2CES1
SCHEMBL11170599 0.77 CA1 (0.45) CA1TSHRCA2CES2CES1
SCHEMBL11543478 0.77 CPA1 (0.32)
SCHEMBL9470509 0.77 RNPEP (0.42) CA1TSHRCA2CES2CES1
SCHEMBL10889606 0.77 CA2 (0.49) CA1CA2CES2CES1

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-4727104-A HEAT RESISTANCE, PHOTOSTABILITY CIBA-GEIGY CORPORATION (US) 1988-02-23 US disclosed