SCHEMBL29134465

SCHEMBL29134465

CCOC(=O)c1cccc2c1cc(B(O)O)n2C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 4/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NR1H2 P55055 1/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
ATM Q13315 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
ALOX15 P16050 1/20 0.38
CDC25B P30305 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37

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
SCHEMBL759757 0.87 NR1H2 (0.40) MEN1KMT2ANR1H2CHRM2CHRM4
SCHEMBL2878161 0.82 NR1H2 (0.40) L3MBTL1NR1H2CHRM2CHRM4CHRM1
SCHEMBL29954668 0.82 NR1H2 (0.40) L3MBTL1NR1H2CHRM2CHRM4CHRM1
SCHEMBL760776 0.79 NR1H2 (0.38) TSHRNR1H2CHRM2CHRM4CHRM1
SCHEMBL2873485 0.79 NR1H2 (0.40) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL599783 0.79 NR1H2 (0.40) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL7426077 0.79 L3MBTL1 (0.42) L3MBTL1KDM4ETSHRMEN1KMT2A
SCHEMBL10214934 0.78 NR1H2 (0.37) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL7423161 0.78 CRHBP (0.43) L3MBTL1KDM4ETSHRMEN1KMT2A
SCHEMBL2926879 0.78 NR1H2 (0.40) NR1H2CHRM2CHRM4CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313967-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-07 EP disclosed
CN-117120429-A KHK inhibitor 吉利德科学公司 2023-11-24 CN disclosed
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed