SCHEMBL22798969

SCHEMBL22798969

C[C@@H]1OCC2(CCN(C(=O)OC(C)(C)C)CC2)C1=C=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ RECQL P46063 1/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.37
▸ HPGD P15428 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ GPR119 Q8TDV5 4/20 0.36
▸ USP30 Q70CQ3 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ PTPN2 P17706 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ PTPN6 P29350 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
SCHEMBL16914257 0.84 USP2 (0.45) USP2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL23002557 0.84 USP2 (0.45) USP2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL18330214 0.84 USP2 (0.45) USP2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL22799173 0.81 MAPT (0.42) USP2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL22799096 0.75 USP2 (0.41) USP2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL24013334 0.75 USP2 (0.36) USP2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL22799622 0.74 EPHX2 (0.40) USP2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL22799064 0.74 USP2 (0.47) USP2SMN1; SMN2RECQLHRH3HPGD
SCHEMBL20385857 0.72 USP2 (0.41) USP2SMN1; SMN2KDM4EMAPTTHRB
SCHEMBL16914459 0.72 USP2 (0.50) USP2SMN1; SMN2KDM4EMAPTTHRB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114981268-B Pyrimidine-4 (3H) -ketone heterocyclic compound, preparation method and application thereof in medicine 北京诺诚健华医药科技有限公司 2025-01-28 — — CN disclosed
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-114981268-A Pyrimidine-4 (3H) -ketone heterocyclic compound, preparation method and application thereof in medicine and pharmacology 北京诺诚健华医药科技有限公司 2022-08-30 — — CN disclosed
WO-2022089406-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海青煜医药科技有限公司 2022-05-05 — — WO 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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