SCHEMBL28640709

SCHEMBL28640709

CC(=O)n1ccc(-c2ccn(C(=O)C(C)C)n2)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
SCN4A P35499 4/20 0.35
JMJD6 Q6NYC1 3/20 0.33
KMT2A Q03164 2/20 0.32
SCN9A Q15858 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
NFKB1 P19838 1/20 0.31
RAB9A P51151 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CREBBP Q92793 2/20 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
SCHEMBL13101034 0.74 MAPT (0.33) ALOX15KMT2AL3MBTL1NPC1HPGD
SCHEMBL22057205 0.71 RAB9A (0.41) SCN4AKMT2ASCN9ANPC1RAB9A
SCHEMBL12126287 0.69
SCHEMBL27714139 0.68 MAPT (0.41) ALOX15KMT2ANPC1HPGDRAB9A
SCHEMBL22390874 0.68 ALOX15 (0.39) ALOX15KMT2AL3MBTL1NPC1RAB9A
SCHEMBL3604417 0.67
SCHEMBL31493084 0.67
SCHEMBL2428782 0.66 GSK3B (0.47) SCN4ASCN9ACREBBP
SCHEMBL17489137 0.66 ALOX15 (0.50) ALOX15KMT2ATDP1KDM4ERAB9A
SCHEMBL28640710 0.66 NOS1 (0.40) ALOX15

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
CN-113563404-A Process for the preparation of cholic acid derivatives 华东师范大学 2021-10-29 CN disclosed
CN-113563405-A Cholic acid derivatives and their use in lowering cholesterol 华东师范大学 2021-10-29 CN disclosed