SCHEMBL22798973

SCHEMBL22798973

CC(C)(C)OC(=O)N1CCC2(CC1)OCC(C)(C)C2=C=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GPR119 Q8TDV5 4/20 0.37
▸ RECQL P46063 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ GPR183 P32249 1/20 0.35

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
SCHEMBL22814430 0.82 USP2 (0.46) USP2SMN1; SMN2GPR119RECQLALDH1A1
SCHEMBL22799174 0.76 USP2 (0.47) USP2SMN1; SMN2GPR119RECQLTSHR
SCHEMBL22799096 0.74 USP2 (0.41) USP2SMN1; SMN2GPR119RECQLALDH1A1
SCHEMBL28804351 0.74 USP2 (0.39) USP2SMN1; SMN2GPR119RECQLALDH1A1
SCHEMBL29715682 0.74 USP2 (0.39) USP2SMN1; SMN2GPR119RECQLALDH1A1
SCHEMBL28804350 0.74 USP2 (0.39) USP2SMN1; SMN2GPR119RECQLALDH1A1
SCHEMBL156363 0.74 USP2 (0.56) USP2SMN1; SMN2GPR119RECQLHPGD
SCHEMBL21843465 0.73 USP2 (0.49) USP2SMN1; SMN2GPR119RECQLMAPT
SCHEMBL25357154 0.73 USP2 (0.41) USP2SMN1; SMN2GPR119ALDH1A1LMNA
SCHEMBL4189009 0.72 USP2 (0.50) USP2SMN1; SMN2GPR119RECQLALDH1A1

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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