SCHEMBL28804271

SCHEMBL28804271

CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](O)CC2=C=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GPR119 Q8TDV5 8/20 0.39
▸ HPGD P15428 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ RECQL P46063 1/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ PTPN2 P17706 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ PTPN6 P29350 1/20 0.36

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
SCHEMBL22799622 0.87 EPHX2 (0.40) EPHX2USP2SMN1; SMN2GPR119HPGD
SCHEMBL16914421 0.82 USP2 (0.43) EPHX2USP2SMN1; SMN2GPR119HPGD
SCHEMBL21852145 0.82 USP2 (0.43) EPHX2USP2SMN1; SMN2GPR119HPGD
SCHEMBL22799022 0.80 — —
SCHEMBL29715539 0.80 USP2 (0.37) EPHX2USP2SMN1; SMN2GPR119RECQL
SCHEMBL22799010 0.78 USP2 (0.42) EPHX2USP2SMN1; SMN2HPGDHRH3
SCHEMBL22799064 0.76 USP2 (0.47) EPHX2USP2SMN1; SMN2GPR119HPGD
SCHEMBL22799173 0.75 MAPT (0.42) EPHX2USP2SMN1; SMN2GPR119HPGD
SCHEMBL1474868 0.74 USP2 (0.49) EPHX2USP2SMN1; SMN2GPR119HPGD
SCHEMBL24089120 0.72 USP2 (0.50) EPHX2USP2SMN1; SMN2GPR119HPGD

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-115448923-A Pyrimido-cyclic compounds, process for their preparation and their use 青煜医药研发(上海)有限公司 2022-12-09 — — CN disclosed
CN-110156786-B Pyrimido-cyclic compounds, process for their preparation and their use 青煜医药研发(上海)有限公司 2022-06-03 — — CN disclosed
Send feedback