SCHEMBL9440879

SCHEMBL9440879

CCCCCCCC[PH](CCCCCCCC)(CCCCCCCC)OS(=O)(=O)c1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.46
S1PR3 Q99500 6/20 0.42
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
CYP1A2 P05177 1/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
PLA2G4B P0C869 1/20 0.38
S1PR1 P21453 2/20 0.38
RARB P10826 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
SCHEMBL9440583 1.00 PLA2G2A (0.46) PLA2G2AS1PR3LCKFYNCYP1A2
SCHEMBL9440731 0.94 LCK (0.42) PLA2G2AS1PR3LCKFYNCYP1A2
SCHEMBL9440910 0.88 LCK (0.44) PLA2G2AS1PR3LCKFYNCYP1A2
SCHEMBL9440692 0.86 MGLL (0.38)
SCHEMBL9440620 0.81 KDM4E (0.38)
SCHEMBL28769007 0.77 PLA2G2A (0.55) PLA2G2AS1PR3TP53TSHRPLA2G4B
SCHEMBL28220181 0.77 PLA2G2A (0.50) PLA2G2ATP53TSHRPLA2G4BRARB
SCHEMBL9440514 0.76 S1PR3 (0.41) PLA2G2AS1PR3LCKFYNTSHR
SCHEMBL9440372 0.76 S1PR3 (0.41) PLA2G2AS1PR3LCKFYNTSHR
SCHEMBL9440934 0.74 KDM4E (0.40) CYP1A2TSHR

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