SCHEMBL22799010

SCHEMBL22799010

CC(C)(C)OC(=O)N1CCC2(CCCC2=C=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TSHR P16473 2/20 0.41
▸ HPGD P15428 1/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ EPHX1 P07099 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.38
▸ DDB1 Q16531 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ EPHX2 P34913 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 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
SCHEMBL4774216 0.81 USP2 (0.45) USP2SMN1; SMN2HPGDHRH3MEN1
SCHEMBL22799622 0.78 EPHX2 (0.40) USP2SMN1; SMN2HPGDHRH3EPHX1
SCHEMBL22799064 0.78 USP2 (0.47) USP2SMN1; SMN2TSHRHPGDHRH3
SCHEMBL28804271 0.78 EPHX2 (0.40) USP2SMN1; SMN2HPGDHRH3EPHX1
SCHEMBL16914278 0.77 USP2 (0.44) USP2SMN1; SMN2TSHRHPGDHRH3
SCHEMBL29346929 0.77 CRBN (0.47) USP2SMN1; SMN2HPGDHRH3USP30
SCHEMBL24088990 0.76 HPGD (0.43) USP2SMN1; SMN2TSHRHPGDHRH3
SCHEMBL22958850 0.76 HPGD (0.43) USP2SMN1; SMN2TSHRHPGDHRH3
SCHEMBL31566861 0.76 USP30 (0.48) USP2SMN1; SMN2HPGDHRH3USP30
SCHEMBL31171576 0.76 USP30 (0.48) USP2SMN1; SMN2HPGDHRH3USP30

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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