SCHEMBL9440880

SCHEMBL9440880

O=C(O)c1cc(C(=O)O)cc(S(=O)(=O)O[PH](Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.41
AKR1C3 P42330 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.39
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR4A2 P43354 2/20 0.37
SRD5A2 P31213 2/20 0.36
NR4A1 P22736 1/20 0.36
NR4A3 Q92570 1/20 0.36

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
SCHEMBL9440386 0.86 HPGD (0.46) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL27309667 0.77 KMT2A (0.53) LCKFYNMEN1KMT2ATSHR
SCHEMBL9440644 0.77 LCK (0.46) LCKFYNMEN1KMT2ATSHR
SCHEMBL9440910 0.76 LCK (0.44) LCKFYNKMT2ACYP1A2SMN1; SMN2
SCHEMBL3906501 0.74 LCK (0.46) LCKFYNMEN1KMT2ATSHR
SCHEMBL9440731 0.73 LCK (0.42) LCKFYNTSHRCYP1A2SMN1; SMN2
SCHEMBL3908024 0.73 MEN1 (0.39) LCKFYNMEN1KMT2ATSHR
SCHEMBL2777675 0.72 LCK (0.57) LCKFYNMEN1KMT2ATSHR
SCHEMBL9440583 0.71 PLA2G2A (0.46) LCKFYNTSHRCYP1A2
SCHEMBL9440879 0.71 PLA2G2A (0.46) LCKFYNTSHRCYP1A2

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