SCHEMBL9745842

SCHEMBL9745842

CCC(C(=O)O)P(C)(=O)OCCN

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.35
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
CTH P32929 1/20 0.33
LMNA P02545 1/20 0.32
GABRR1 P24046 2/20 0.31
CPB1 P15086 1/20 0.31
CPB2 Q96IY4 1/20 0.31
PLA2G2D Q9UNK4 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
SCHEMBL22207787 0.81 TSHR (0.37)
SCHEMBL2984496 0.75 MMP1 (0.33) LMNA
Oxalic Acid SCHEMBL27625083 0.69 PLA2G2D (0.36) HPRT1GABBR2GABBR1PLA2G2CPLA2G2D
SCHEMBL2988982 0.69 FOLH1 (0.43)
SCHEMBL4341072 0.68 FOLH1 (0.41)
SCHEMBL262483 0.67 POLB (0.43)
SCHEMBL28170535 0.66 FOLH1 (0.35)
Ammonia Solution, Strong SCHEMBL27862237 0.66 FOLH1 (0.40)
SCHEMBL3908397 0.66 PPARD (0.38)
SCHEMBL21059309 0.66 LAP3 (0.37)

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-5081024-A Resolution by microbial fermentation NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1992-01-14 US disclosed