SCHEMBL10334692

SCHEMBL10334692

COC(=O)COC(=O)C(OC)(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.47
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CES1 P23141 1/20 0.40
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ACSS2 Q9NR19 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
SRC P12931 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36

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
SCHEMBL341296 0.81 PIN1 (0.51) KCNN4ALDH1A1CYP3A4CYP2D6CES1
SCHEMBL342555 0.81 KCNN4 (0.64) KCNN4ALDH1A1CES1MEN1KMT2A
SCHEMBL2488944 0.79 LMNA (0.50) KCNN4ALDH1A1CYP3A4CYP2D6POLB
SCHEMBL9292333 0.79 ALDH1A1 (0.53) KCNN4ALDH1A1MEN1KMT2ALMNA
SCHEMBL10334585 0.77 KCNN4 (0.43) KCNN4CYP3A4CYP2D6CES1POLB
SCHEMBL10334767 0.77 CYP3A4 (0.46) KCNN4ALDH1A1CYP3A4CYP2D6CES1
SCHEMBL10335671 0.77 KCNN4 (0.43) KCNN4CYP3A4CYP2D6CES1POLB
SCHEMBL9292180 0.77 KCNN4 (0.43) KCNN4ALDH1A1CYP3A4CYP2D6CES1
SCHEMBL4883646 0.77 KCNN4 (0.46) KCNN4ALDH1A1CYP2D6CES1POLB
SCHEMBL10334703 0.76 CYP3A4 (0.54) ALDH1A1CYP3A4CYP2D6POLBMEN1

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-4964893-A REDUCING INJURY TO A CROP PLANT MONSANTO COMPANY (US) 1990-10-23 US disclosed