SCHEMBL29936544

SCHEMBL29936544

CC(C)c1cccc(C(C)C)c1N1C(=O)c2ccc(CO)cc2C1=O

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 7/20 0.68
DPP4 P27487 7/20 0.68
NR1H2 P55055 1/20 0.52
NR1H3 Q13133 1/20 0.52
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
PDCD1 Q15116 5/20 0.39
CD274 Q9NZQ7 5/20 0.39
KMT2A Q03164 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
SCHEMBL29566034 0.86 ANPEP (0.68) ANPEPDPP4NR1H2NR1H3PDCD1
SCHEMBL173289 0.81 ANPEP (1.00) ANPEPDPP4NR1H2NR1H3
SCHEMBL13171786 0.80 ANPEP (0.71) ANPEPDPP4NR1H2NR1H3
SCHEMBL29366407 0.78 DPP4 (0.78) ANPEPDPP4NR1H2NR1H3KMT2A
SCHEMBL2820118 0.78 DPP4 (0.78) ANPEPDPP4NR1H2NR1H3KMT2A
SCHEMBL2818285 0.78 ANPEP (1.00) ANPEPDPP4NR1H2NR1H3KMT2A
SCHEMBL9812636 0.78 ANPEP (0.69) ANPEPDPP4NR1H2NR1H3
SCHEMBL30278883 0.78 ANPEP (0.68) ANPEPDPP4NR1H2NR1H3KMT2A
SCHEMBL30954668 0.77 ANPEP (0.67) ANPEPDPP4NR1H2NR1H3GABRA1
SCHEMBL17531021 0.77 ANPEP (0.67) ANPEPDPP4NR1H2NR1H3GABRA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022192139-A1 AURORA KINASE B INHIBITORS FOR USE FOR TREATING CANCER ASTRAZENECA AB (SE) 2022-09-15 WO claimed
EP-4451389-A1 POSITIVE ELECTRODE MATERIAL COMPOSITION AND PREPARATION METHOD THEREFOR, POSITIVE ELECTRODE SHEET COMPRISING POSITIVE ELECTRODE MATERIAL COMPOSITION, SECONDARY BATTERY, AND ELECTRICAL DEVICE Contemporary Amperex Technology (Hong Kong) Limited (HK) 2024-10-23 EP disclosed