SCHEMBL8941683

SCHEMBL8941683

CCCCC(OC(CCCC)S(C)(=O)=O)S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.34
CA2 P00918 10/20 0.33
CA1 P00915 9/20 0.33
DNM1 Q05193 2/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FDPS P14324 1/20 0.33
CYP3A4 P08684 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CA9 Q16790 6/20 0.32
MAPK1 P28482 1/20 0.32
CA12 O43570 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 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
SCHEMBL420985 0.79 TP53 (0.42) TP53CA2CA1TSHRSMN1; SMN2
SCHEMBL7846186 0.76 CA2 (0.46) TP53CA2CA1DNM1CA9
SCHEMBL9643009 0.74 TP53 (0.38) TP53CA2CA1FDPSCA9
SCHEMBL419967 0.73 TP53 (0.50) TP53CA1FDPS
SCHEMBL754171 0.71 TP53 (0.48) TP53CA2CA1FDPS
SCHEMBL754167 0.71 TP53 (0.48) TP53CA2CA1FDPS
SCHEMBL27960179 0.71 TP53 (0.48) TP53CA2CA1FDPS
SCHEMBL14892606 0.70 TP53 (0.37) TP53CA2CA1DNM1TSHR
SCHEMBL5637608 0.70 TP53 (0.46) TP53CA2CA1DNM1TSHR
SCHEMBL27731097 0.70 TP53 (0.47) TP53CA2CA1FDPS

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-5480568-A FOR LUBRICATING METAL CONTAINING SURFACES THE DOW CHEMICAL COMPANY (US) 1996-01-02 US disclosed