SCHEMBL29957744

SCHEMBL29957744

CC(C)(C)OC(=O)NCc1ccccc1CC=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.49
KDM4A O75164 1/20 0.48
MALT1 Q9UDY8 1/20 0.43
IDO1 P14902 1/20 0.43
NAMPT P43490 2/20 0.43
HDAC10 Q969S8 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
BCHE P06276 1/20 0.41
NQO2 P16083 1/20 0.41
ADRB2 P07550 1/20 0.41
HTR1A P08908 1/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HDAC1 Q13547 1/20 0.39
SYK P43405 1/20 0.39

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
SCHEMBL8018113 0.89 KCNA5 (0.56) KCNA5KDM4AMALT1IDO1NAMPT
SCHEMBL30159605 0.89 KCNA5 (0.56) KCNA5KDM4AMALT1IDO1NAMPT
SCHEMBL19350488 0.86 KCNA5 (0.47) KCNA5KDM4AMALT1IDO1NAMPT
SCHEMBL6874894 0.83 KCNA5 (0.52) KCNA5KDM4AMALT1IDO1NAMPT
SCHEMBL30454240 0.83 KCNA5 (0.52) KCNA5KDM4AMALT1IDO1NAMPT
SCHEMBL11520053 0.82 KCNA5 (0.52) KCNA5KDM4AMALT1IDO1NAMPT
SCHEMBL19126687 0.82 KCNA5 (0.49) KCNA5KDM4AMALT1IDO1NAMPT
SCHEMBL7654695 0.82 KCNA5 (0.54) KCNA5KDM4AMALT1IDO1NAMPT
SCHEMBL6924987 0.82 KCNA5 (0.51) KCNA5KDM4AMALT1IDO1NAMPT
SCHEMBL11346624 0.81 KCNA5 (0.51) KCNA5KDM4AMALT1IDO1NAMPT

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed