SCHEMBL9440910

SCHEMBL9440910

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
CYP1A2 P05177 1/20 0.44
PLA2G2A P14555 1/20 0.36
CA12 O43570 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
SLC22A8 Q8TCC7 1/20 0.36
ABCC2 Q92887 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
UGT1A7 Q9HAW7 1/20 0.36
SLC22A11 Q9NSA0 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
S1PR3 Q99500 5/20 0.35
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9440731 0.91 LCK (0.42) LCKFYNCYP1A2PLA2G2ACA12
SCHEMBL9440879 0.88 PLA2G2A (0.46) LCKFYNCYP1A2PLA2G2AS1PR3
SCHEMBL9440583 0.88 PLA2G2A (0.46) LCKFYNCYP1A2PLA2G2AS1PR3
SCHEMBL9440813 0.87 LCK (0.47) LCKFYNCYP1A2PLA2G2ACA12
SCHEMBL9440934 0.85 KDM4E (0.40) CYP1A2CA12CA2CA9SMN1; SMN2
SCHEMBL9440620 0.77 KDM4E (0.38) CA12CA2CA9RAB9ATDP1
SCHEMBL9440880 0.76 LCK (0.42) LCKFYNCYP1A2SMN1; SMN2KMT2A
SCHEMBL9440514 0.76 S1PR3 (0.41) LCKFYNPLA2G2ACA2S1PR3
SCHEMBL9440372 0.76 S1PR3 (0.41) LCKFYNPLA2G2ACA2S1PR3
SCHEMBL27310672 0.75 LCK (0.52) LCKFYNCYP1A2PLA2G2ACA12

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