SCHEMBL9440864

SCHEMBL9440864

O=C(O)c1cc(C(=O)O)cc(S(=O)(=O)O)c1.c1ccc(CP(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.62
FYN P06241 1/20 0.62
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
AKR1C3 P42330 2/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
TAS2R14 Q9NYV8 3/20 0.41
GAA P10253 2/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.37
IL1RN P18510 1/20 0.37

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
SCHEMBL9440381 0.84 HPGD (0.47) LCKFYNTSHRALDH1A1LMNA
SCHEMBL2775214 0.80 LCK (0.61) LCKFYNTSHRHSD17B10AKR1C3
SCHEMBL31031074 0.79 LCK (1.00) LCKFYNTSHRHSD17B10ALDH1A1
SCHEMBL63440 0.79 LCK (1.00) LCKFYNTSHRHSD17B10ALDH1A1
SCHEMBL9440637 0.79 LCK (0.69) LCKFYNTSHRHSD17B10AKR1C3
Phenol SCHEMBL27842743 0.78 LCK (0.74) LCKFYNTSHRHSD17B10AKR1C3
Phenol SCHEMBL28181982 0.78 LCK (0.74) LCKFYNTSHRHSD17B10AKR1C3
Isophthalic Acid SCHEMBL7093021 0.78 LCK (0.80) LCKFYNAKR1C3ALDH1A1CYP1A2
SCHEMBL2777675 0.78 LCK (0.57) LCKFYNTSHRHSD17B10AKR1C3
SCHEMBL28644061 0.78 LCK (0.57) LCKFYNTSHRHSD17B10AKR1C3

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