SCHEMBL9470936

SCHEMBL9470936

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.42
CA1 P00915 3/20 0.39
CA2 P00918 2/20 0.34
MMP8 P22894 1/20 0.33
PLA2G2A P14555 2/20 0.33
PLA2G5 P39877 2/20 0.33
PLA2G10 O15496 2/20 0.32
CYP3A4 P08684 2/20 0.31
TSHR P16473 2/20 0.31
NFKB1 P19838 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL9245348 0.82 CA1 (0.43) CA1CA2CYP3A4TSHRNFKB1
SCHEMBL9470939 0.81 RNPEP (0.44) RNPEPCA1CA2MMP8PLA2G2A
SCHEMBL11547889 0.80 CA1 (0.41) CA1CA2CYP3A4TSHRNFKB1
SCHEMBL9470509 0.79 RNPEP (0.42) RNPEPCA1CA2MMP8PLA2G2A
SCHEMBL7542819 0.79 RNPEP (0.58) RNPEPCA1CA2CYP3A4TSHR
SCHEMBL10479853 0.78 CA1 (0.46) CA1CA2NFKB1
SCHEMBL11879748 0.75 CA1 (0.50) CA1CA2CYP3A4TSHRNFKB1
Bicarbonate SCHEMBL8729890 0.74 CA1 (0.46) CA1CA2CES2CES1
SCHEMBL27956851 0.73 CA1 (0.49) CA1CA2NFKB1
Acetic Acid SCHEMBL23327569 0.72 CES1 (0.44) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5244995-A Vinyl halide aqueous polymerization dispersant system THE BF GOODRICH COMPANY (US) 1993-09-14 US disclosed
US-5155189-A Derived from repeating units of acrylic and/or methacrylic ester polymers THE B. F. GOODRICH COMPANY (US) 1992-10-13 US disclosed
EP-0501300-A1 High melt flow crosslinked PVC resin, compound and articles derived therefrom The Geon Company (US) 1992-09-02 EP disclosed
EP-0483051-A1 Improved vinyl halide aqueous polymerization dispersant system The Geon Company (US) 1992-04-29 EP disclosed
EP-0473915-A1 Improved barrier PVC resins, compounds and articles derived therefrom THE B.F. GOODRICH COMPANY (US) 1992-03-11 EP disclosed