SCHEMBL8055309

SCHEMBL8055309

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.O=C([O-])c1cc(C(=O)O)cc(S(=O)(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
S1PR3 Q99500 2/20 0.43
PLA2G2A P14555 1/20 0.42
HTT P42858 1/20 0.38
DNM1 Q05193 7/20 0.37
CYP1A2 P05177 1/20 0.36
MLNR O43193 1/20 0.35
NR1I2 O75469 1/20 0.35
ESR1 P03372 1/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
ADRB2 P07550 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRB1 P08588 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35

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
SCHEMBL8055307 0.95 HTT (0.42) LCKFYNS1PR3HTTDNM1
Tetrabuthylammonium SCHEMBL31297150 0.83 LCK (0.43) LCKFYNS1PR3CA2
Tetrabuthylammonium SCHEMBL2776553 0.81 LCK (0.62) LCKFYNS1PR3PLA2G2ACYP1A2
Potassium Ion SCHEMBL5698373 0.78 LCK (0.77) LCKFYNCYP1A2CA2
SCHEMBL5697530 0.78 LCK (0.77) LCKFYNCYP1A2CA2
SCHEMBL295169 0.78 LCK (0.77) LCKFYNCYP1A2CA2
Lithium Ion SCHEMBL5698384 0.78 LCK (0.77) LCKFYNCYP1A2CA2
SCHEMBL30723107 0.78 LCK (0.77) LCKFYNCYP1A2CA2
Butane SCHEMBL6296727 0.76 LCK (0.52) LCKFYNS1PR3CYP1A2CA2
Butane SCHEMBL18192040 0.76 LCK (0.52) LCKFYNS1PR3CA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6140003-A POLYESTERS AND PIGMENTS XEROX CORPORATION (US) 2000-10-31 US disclosed