SCHEMBL9440774

SCHEMBL9440774

O=C(OCCO)c1cc(C(=O)OCCO)cc(S(=O)(=O)O)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
TDP1 Q9NUW8 3/20 0.40
SLC7A5 Q01650 1/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TYR P14679 1/20 0.35

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
SCHEMBL9440682 0.90 TDP1 (0.46) TDP1SLC7A5CA1CA2L3MBTL1
SCHEMBL31148945 0.86 LCK (0.50) LCKFYNTDP1SLC7A5CA1
SCHEMBL3846745 0.86 LCK (0.50) LCKFYNTDP1SLC7A5CA1
SCHEMBL31148946 0.86 LCK (0.50) LCKFYNTDP1SLC7A5CA1
SCHEMBL1602982 0.84 LCK (0.48) LCKFYNTDP1SLC7A5CA1
SCHEMBL1603985 0.84 LCK (0.48) LCKFYNTDP1SLC7A5CA1
SCHEMBL434339 0.84 LCK (0.48) LCKFYNTDP1SLC7A5CA1
SCHEMBL3905009 0.84 LCK (0.41) LCKFYNTDP1SLC7A5CA1
SCHEMBL27912595 0.83 LCK (0.62) LCKFYNTDP1SLC7A5CA1
SCHEMBL9440606 0.81 TSHR (0.47) LCKFYNCA1CA2L3MBTL1

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
EP-0280026-B1 Copolyester fiber TEIJIN LTD (JP) 1994-03-30 EP disclosed
US-4851504-A Cationically-dyeable, thermally-resistant copolyester fiber comprising quaternary phosphonium organic sulfonate groups TEIJIN LIMITED (JP) 1989-07-25 US disclosed
EP-0280026-A2 Copolyester fiber TEIJIN LIMITED (JP) 1988-08-31 EP disclosed