SCHEMBL22799622

SCHEMBL22799622

CC1CC(=C=O)C2(CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.39
▸ HPGD P15428 1/20 0.38
▸ GPR119 Q8TDV5 6/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 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
SCHEMBL28804271 0.87 EPHX2 (0.40) EPHX2USP2SMN1; SMN2HRH3HPGD
SCHEMBL19735966 0.82 USP2 (0.43) EPHX2USP2SMN1; SMN2HRH3HPGD
SCHEMBL16925009 0.82 USP2 (0.43) EPHX2USP2SMN1; SMN2HRH3HPGD
SCHEMBL29715539 0.80 USP2 (0.37) EPHX2USP2SMN1; SMN2GPR119RECQL
SCHEMBL22799010 0.78 USP2 (0.42) EPHX2USP2SMN1; SMN2HRH3HPGD
SCHEMBL22799173 0.77 MAPT (0.42) EPHX2USP2SMN1; SMN2HRH3HPGD
SCHEMBL22799064 0.76 USP2 (0.47) EPHX2USP2SMN1; SMN2HRH3HPGD
SCHEMBL22798969 0.74 USP2 (0.41) EPHX2USP2SMN1; SMN2HRH3HPGD
SCHEMBL22305158 0.74 USP2 (0.49) EPHX2USP2SMN1; SMN2HPGDGPR119
SCHEMBL31184024 0.72 KDM4E (0.45) USP2SMN1; SMN2HRH3HPGDGPR119

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
CN-115448923-B Pyrimidine-fused ring compound, preparation method and application thereof 上海青煜医药科技有限公司 2024-03-22 — — 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
EP-3753941-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Blueray Biopharma Co., Ltd. (CN) 2020-12-23 — — EP disclosed
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