SCHEMBL5613372

SCHEMBL5613372

CC(C)C(C/C=C/Cl)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
GRIK1 P39086 1/20 0.32
GRIK2 Q13002 1/20 0.32
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2D6 P10635 1/20 0.31
NOS1 P29475 2/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL295878 0.79 SMN1; SMN2 (0.39) CA7GRIK1GRIK2KMT2A
SCHEMBL293293 0.79 SMN1; SMN2 (0.39) CA7GRIK1GRIK2KMT2A
SCHEMBL2234429 0.79 SMN1; SMN2 (0.39) CA7GRIK1GRIK2KMT2A
SCHEMBL2234435 0.79 SMN1; SMN2 (0.39) CA7GRIK1GRIK2KMT2A
SCHEMBL293294 0.79 SMN1; SMN2 (0.39) CA7GRIK1GRIK2KMT2A
SCHEMBL295880 0.79 SMN1; SMN2 (0.39) CA7GRIK1GRIK2KMT2A
SCHEMBL9978585 0.78 ALDH1A1 (0.34) GRIK1GRIK2LMNACYP2D6
SCHEMBL9978358 0.78 ALDH1A1 (0.34) GRIK1GRIK2LMNACYP2D6
SCHEMBL9978359 0.78 ALDH1A1 (0.34) GRIK1GRIK2LMNACYP2D6
SCHEMBL9978356 0.78 ALDH1A1 (0.34) GRIK1GRIK2LMNACYP2D6

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-2007028714-A2 METHOD FOR PRODUCING 2-SUBSTITUTED CARBOXYLIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 2007-03-15 WO disclosed