SCHEMBL29099043

SCHEMBL29099043

CCOC(=O)CC1CCN(C(=O)OC(C)(C)C)C[C@@H]1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
RECQL P46063 2/20 0.40
DPP4 P27487 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
HSD17B10 Q99714 1/20 0.38
EPHX1 P07099 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
NR1H2 P55055 1/20 0.37
GAA P10253 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
SCHEMBL5151599 1.00 HPGD (0.42) HPGDRECQLDPP4ALDH1A1MEN1
SCHEMBL15227428 1.00 HPGD (0.42) HPGDRECQLDPP4ALDH1A1MEN1
SCHEMBL26978292 1.00 HPGD (0.42) HPGDRECQLDPP4ALDH1A1MEN1
SCHEMBL26978667 1.00 HPGD (0.42) HPGDRECQLDPP4ALDH1A1MEN1
SCHEMBL29099046 1.00 HPGD (0.42) HPGDRECQLDPP4ALDH1A1MEN1
SCHEMBL26977968 1.00 HPGD (0.42) HPGDRECQLDPP4ALDH1A1MEN1
SCHEMBL13711178 0.90 GAA (0.45) ALDH1A1MAPTTSHRGAA
SCHEMBL26125021 0.87 HPGD (0.44) HPGDRECQLDPP4ALDH1A1MEN1
SCHEMBL18044508 0.87 HPGD (0.41) HPGDRECQLALDH1A1MEN1KMT2A
SCHEMBL14501404 0.86 L3MBTL1 (0.40) ALDH1A1MAPTGAA

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-116997555-A Novel thienopyrimidinone derivatives 豪夫迈·罗氏有限公司 2023-11-03 CN disclosed