SCHEMBL7260792

SCHEMBL7260792

CC(O)C(=O)OC(C)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP2D6 P10635 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
DGAT1 O75907 1/20 0.31
NOS1 P29475 2/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
TP53 P04637 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
SCHEMBL1953733 0.84 TP53 (0.38) CA12CA14LMNAKMT2ACYP2D6
SCHEMBL1332536 0.84 TP53 (0.38) CA12CA14LMNAKMT2ACYP2D6
SCHEMBL305050 0.84 TP53 (0.38) CA12CA14LMNAKMT2ACYP2D6
SCHEMBL24045977 0.81 CA1 (0.34) CA12CA14LMNAKMT2ACYP2D6
SCHEMBL13647345 0.81 TSHR (0.41) CA12CA14LMNAKMT2ACA1
SCHEMBL18206813 0.80 TSHR (0.44) CA12CA14LMNAKMT2ACA1
SCHEMBL7361094 0.80 TSHR (0.44) CA12CA14LMNAKMT2ACA1
SCHEMBL7361092 0.80 TSHR (0.44) CA12CA14LMNAKMT2ACA1
SCHEMBL18032856 0.79 CA1 (0.33) CA12CA14LMNAKMT2ACYP2D6
SCHEMBL4622814 0.78 NOS1 (0.37) CA12CA14LMNAKMT2ACA1

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-2003016259-A2 COMPOUNDS CONTAINING LACTIC ACID ELEMENTS, METHOD FOR THE PRODUCTION AND USE THEREOF AS PHARMACEUTICALLY ACTIVE SUBSTANCES PHARMACON-FORSCHUNG UND BERATUNG GMBH (AT) 2003-02-27 WO disclosed