SCHEMBL6829920

SCHEMBL6829920

O=C(OCCCO)c1cc(C(=O)OCCCO)cc(S(=O)(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
SERPINE1 P05121 3/20 0.46
ESR1 P03372 8/20 0.41
TDP1 Q9NUW8 2/20 0.41
AKR1C4 P17516 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
SLC29A1 Q99808 1/20 0.38

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
SCHEMBL6934610 0.98 LCK (0.46) LCKFYNSERPINE1ESR1TDP1
SCHEMBL3894982 0.98 LCK (0.46) LCKFYNSERPINE1ESR1TDP1
SCHEMBL6827175 0.95 LCK (0.46) LCKFYNSERPINE1ESR1TDP1
SCHEMBL13520457 0.95 LCK (0.46) LCKFYNSERPINE1ESR1TDP1
SCHEMBL9421988 0.94 LCK (0.44) LCKFYNSERPINE1ESR1TDP1
SCHEMBL3846745 0.90 LCK (0.50) LCKFYNSERPINE1ESR1TDP1
SCHEMBL31148946 0.90 LCK (0.50) LCKFYNSERPINE1ESR1TDP1
SCHEMBL31148945 0.90 LCK (0.50) LCKFYNSERPINE1ESR1TDP1
SCHEMBL13520458 0.88 POLB (0.43) LCKFYNSERPINE1ESR1TDP1
SCHEMBL1603985 0.88 LCK (0.48) LCKFYNSERPINE1ESR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242838-A1 Sulfonated polyester and process therewith DUAN JIWEN F (US) 2004-12-02 US claimed
US-20040242838-A1 Sulfonated polyester and process therewith DUAN JIWEN F (US) 2004-12-02 US disclosed