SCHEMBL9440682

SCHEMBL9440682

O=C(OCCO)c1cccc(S(=O)(=O)O)c1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
SLC7A5 Q01650 1/20 0.45
ALDH1A1 P00352 1/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 2/20 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
SCHEMBL9440774 0.90 LCK (0.41) TDP1CA1CA2SLC7A5ALDH1A1
SCHEMBL8782111 0.89 CA1 (0.53) TDP1CA1CA2SLC7A5ALDH1A1
SCHEMBL9161519 0.88 CA1 (0.52) TDP1CA1CA2SLC7A5ALDH1A1
SCHEMBL3904890 0.85 TDP1 (0.46) TDP1CA1CA2SLC7A5ALDH1A1
SCHEMBL9440687 0.82 KMT2A (0.50) CA1CA2ALDH1A1MAPTHPGD
SCHEMBL28809152 0.81 LCK (0.54) TDP1CA1CA2SLC7A5ALDH1A1
SCHEMBL5790462 0.80 TDP1 (0.51) TDP1CA1CA2SLC7A5NPC1
SCHEMBL9440633 0.80 CA1 (0.46) TDP1CA1CA2SLC7A5ALDH1A1
SCHEMBL5790426 0.79 TDP1 (0.50) TDP1CA1CA2SLC7A5NPC1
SCHEMBL9161525 0.79 CA1 (0.51) TDP1CA1CA2SLC7A5ALDH1A1

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