SCHEMBL28020173

SCHEMBL28020173

O=S(=O)(O)c1cc2ccc(O)c(O)c2c(S(=O)(=O)O)c1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 6/20 0.41
CDK2 P24941 1/20 0.40
RNASEH1 O60930 1/20 0.38
GPR35 Q9HC97 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
CYP2D6 P10635 1/20 0.36
MPL P40238 3/20 0.36
CTRC Q99895 1/20 0.36
NQO1 P15559 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HIF1A Q16665 1/20 0.35
NT5E P21589 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 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
SCHEMBL6747883 0.75 ALDH1A1 (0.53) CDK2CYP2D6MPLALDH1A1MAPK1
SCHEMBL28019699 0.74 LCK (0.45) MPLCTRCNQO1NT5ETHRB
SCHEMBL29373188 0.73 COMT (0.43) CYP2D6MPLNQO1ALDH1A1MAPK1
SCHEMBL31256 0.73 COMT (0.43) CYP2D6MPLNQO1ALDH1A1MAPK1
SCHEMBL13730297 0.71 CDK2 (0.55) CDK2MPLCTRCALDH1A1MAPK1
SCHEMBL8746545 0.71 MPL (0.38) CYP2D6MPLCTRCNQO1ALDH1A1
SCHEMBL3218328 0.71 COMT (0.42) CYP2D6MPLNQO1ALDH1A1MAPK1
SCHEMBL4763755 0.71 TTR (0.46) CDK2CYP2D6ALDH1A1HSD17B10NT5E
SCHEMBL11345563 0.71 PTPN11 (0.40) PTPN11CDK2RNASEH1GPR35ATG4B
SCHEMBL8740780 0.71 COMT (0.44) CYP2D6MPLCTRCNQO1ALDH1A1

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
CN-104726237-A Yellow-spot-removing dry cleaning agent SHANGHAI PENGGANG IND DEV CO LTD 2015-06-24 CN disclosed