SCHEMBL30213340

SCHEMBL30213340

CC(C)(C)OC(=O)N[C@H]1C[C@@H](Oc2ccccc2C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KDM1A O60341 1/20 0.48
MAOB P27338 1/20 0.48
EPHX2 P34913 2/20 0.47
BTK Q06187 3/20 0.42
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
GRIK1 P39086 1/20 0.41
GRIA2 P42262 1/20 0.41
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KCNA3 P22001 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
KAT2B Q92831 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40

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
SCHEMBL30182719 0.83 KDM1A (0.56) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL25136336 0.83 KDM1A (0.56) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL9913652 0.81 KMT2A (0.46) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL30213238 0.81 KMT2A (0.43) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL9913653 0.79 DRD2 (0.49) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL29874413 0.79 SLC6A2 (0.45) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL9913834 0.79 DRD2 (0.49) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL28497700 0.79 IDO1 (0.39) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL28497702 0.79 IDO1 (0.39) KMT2AL3MBTL1KDM1AMAOBEPHX2
SCHEMBL9913822 0.78 KMT2A (0.42) KMT2AL3MBTL1KDM1AMAOBEPHX2

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
CN-115768768-A Galectin-3 inhibitors 百时美施贵宝公司 2023-03-07 CN disclosed