SCHEMBL3789970

SCHEMBL3789970

CC(=O)OC(P(=O)(O)O)P(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
PGD P52209 2/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GALR3 O60755 1/20 0.33
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
ALOX15 P16050 1/20 0.31
LAP3 P28838 1/20 0.31

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
SCHEMBL19379136 0.84 TSHR (0.37) TSHRPGDALDH1A1
SCHEMBL19379354 0.79 CYP2C9 (0.37) TSHRPGDALDH1A1
SCHEMBL8416129 0.76 TSHR (0.50) TSHRPGDCHRM2CHRM4CHRM1
SCHEMBL19379352 0.74 TSHR (0.42) TSHRPGDCHRM2CHRM4CHRM1
SCHEMBL23197064 0.72 CA4 (0.43) TSHRPGDCHRM2CHRM4CHRM1
Phosphoric Acid SCHEMBL31116688 0.72 TSHR (0.78) TSHRPGDCHRM2CHRM4CHRM1
SCHEMBL9862757 0.70 TSHR (0.44) TSHRPGDCHRM2CHRM4CHRM1
SCHEMBL27998819 0.70 TSHR (0.48) TSHRPGDCHRM2CHRM4CHRM1
SCHEMBL28808732 0.70 TSHR (0.50) TSHRPGDCHRM2CHRM4CHRM1
SCHEMBL27998922 0.70 TSHR (0.50) TSHRPGDCHRM2CHRM4CHRM1

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
WO-2010083471-A1 LUMINESCENT COMPOUNDS SETA BIOMEDICALS, LLC (US) 2010-07-22 WO claimed