SCHEMBL24671657

SCHEMBL24671657

CC(C)C(=O)c1cc(C(N)=O)cc(C(=O)C(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.47
KDM4E B2RXH2 1/20 0.47
DBH P09172 1/20 0.47
GAA P10253 1/20 0.47
PARP10 Q53GL7 2/20 0.41
FFAR1 O14842 1/20 0.40
PARP1 P09874 7/20 0.39
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DHODH Q02127 4/20 0.38
TSHR P16473 3/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C19 P33261 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
APOBEC3A P31941 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
SCHEMBL9962964 0.87 GAA (0.56) RECQLKDM4EDBHGAAFFAR1
SCHEMBL4875754 0.81 PARP10 (0.55) RECQLKDM4EDBHGAAPARP10
SCHEMBL22549048 0.80 GAA (0.50) RECQLKDM4EDBHGAAFFAR1
SCHEMBL813450 0.79 PARP1 (0.53) RECQLPARP10PARP1CYP3A4SMN1; SMN2
SCHEMBL13921549 0.78 KDM4E (0.48) RECQLKDM4EDBHGAAFFAR1
SCHEMBL9965888 0.78 KDM4E (0.48) RECQLKDM4EDBHGAAFFAR1
SCHEMBL23476588 0.78 KDM4E (0.48) RECQLKDM4EDBHGAAFFAR1
SCHEMBL20630226 0.78 KDM4E (0.48) RECQLKDM4EDBHGAAFFAR1
SCHEMBL16256439 0.78 KDM4E (0.54) RECQLKDM4EDBHGAAFFAR1
SCHEMBL22753517 0.77 GAA (0.44) RECQLKDM4EDBHGAAFFAR1

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-2022224035-A2 ANTI-GM1 ANTIBODY BINDING COMPOUNDS POLYNEURON PHARMACEUTICALS AG (CH) 2022-10-27 WO disclosed