SCHEMBL27469645

SCHEMBL27469645

CC(O)(CP(=O)(O)O)CP(=O)(O)O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
GRM4 Q14833 1/20 0.40
KDM4E B2RXH2 1/20 0.37
MMP2 P08253 1/20 0.37
THRB P10828 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FDPS P14324 5/20 0.36
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
TYMS P04818 1/20 0.33
CA2 P00918 1/20 0.33
GGPS1 O95749 1/20 0.32
LAP3 P28838 1/20 0.32

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
SCHEMBL3365741 0.81
SCHEMBL1107273 0.78
SCHEMBL11330004 0.78 GRM4 (0.42) LMNAGRM4KDM4EMMP2THRB
SCHEMBL10881796 0.77
SCHEMBL18149028 0.77 LMNA (0.48) LMNAGRM4KDM4EMMP2THRB
SCHEMBL26310678 0.75 LAP3 (0.36) LMNAGRM4KDM4EMMP2THRB
SCHEMBL16168096 0.73 LMNA (0.43) LMNAGRM4KDM4EMMP2THRB
SCHEMBL28834533 0.73
SCHEMBL9167781 0.73 GRM4 (0.39) LMNAGRM4KDM4EMMP2THRB
SCHEMBL970448 0.73

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-1145585-C Multi-function water treatment agent for circulating water cooling system 中国石油化工股份有限公司 2004-04-14 CN disclosed