SCHEMBL28296372

SCHEMBL28296372

CC(C)(C)C(=O)OC1CCC(O)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.37
MAPT P10636 1/20 0.33
CHRM3 P20309 8/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
EPHX2 P34913 1/20 0.32
HTT P42858 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL17886845 0.91 CYP19A1 (0.41) CYP19A1MAPTCHRM3APOBEC3AAPOBEC3G
SCHEMBL685924 0.83 CYP19A1 (0.35) CYP19A1MAPTCHRM3APOBEC3AAPOBEC3G
SCHEMBL995834 0.83 CYP19A1 (0.40) CYP19A1MAPTCHRM3APOBEC3AAPOBEC3G
SCHEMBL995833 0.83 CYP19A1 (0.40) CYP19A1MAPTCHRM3APOBEC3AAPOBEC3G
SCHEMBL13811600 0.83 CYP19A1 (0.40) CYP19A1MAPTCHRM3APOBEC3AAPOBEC3G
SCHEMBL13073268 0.82 CYP19A1 (0.46) CYP19A1CHRM3APOBEC3AAPOBEC3GHTT
SCHEMBL1682649 0.82 CYP19A1 (0.50) CYP19A1CHRM3HTTSMN1; SMN2CHRM2
SCHEMBL3678287 0.81 CYP19A1 (0.36) CYP19A1MAPTCHRM3APOBEC3AAPOBEC3G
SCHEMBL3676448 0.81 CYP19A1 (0.36) CYP19A1MAPTCHRM3APOBEC3AAPOBEC3G
SCHEMBL9050652 0.81 MAPT (0.50) CYP19A1MAPTCHRM3APOBEC3AAPOBEC3G

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-109824516-A A kind of preparation method of trans- -4- hydroxyl thiacyclohexane t-butyl formate 泰州精英化成医药科技有限公司 2019-05-31 CN claimed
CN-115947704-B Preparation method of organic luminescent material intermediate 1-bromodibenzofuran 武汉理工大学深圳研究院 2024-04-09 CN disclosed
CN-117321046-A Indazole-based compounds and related methods of use 阿维纳斯企业公司 2023-12-29 CN disclosed
CN-115947704-A Preparation method of organic luminescent material intermediate 1-bromodibenzofuran 武汉理工大学深圳研究院 2023-04-11 CN disclosed
CN-109824516-A A kind of preparation method of trans- -4- hydroxyl thiacyclohexane t-butyl formate 泰州精英化成医药科技有限公司 2019-05-31 CN disclosed