SCHEMBL28114737

SCHEMBL28114737

CC(C)(C)OC(=O)OC(=O)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.38
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
BTK Q06187 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34
EPHX1 P07099 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
ELANE P08246 1/20 0.33
MAPK1 P28482 1/20 0.33
DGAT1 O75907 1/20 0.32

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
SCHEMBL28481377 0.94 BTK (0.44) HRH3HPGDRECQLCHRM2CHRM1
SCHEMBL27713683 0.94 HPGD (0.40) HRH3HPGDRECQLBTKKMT2A
SCHEMBL23293551 0.92 HPGD (0.42) HRH3HPGDRECQLBTKKMT2A
SCHEMBL1514914 0.89 TSHR (0.41) HRH3HPGDRECQLBTKKMT2A
SCHEMBL30733879 0.84 HPGD (0.35) HRH3HPGDRECQLBTKEPHX1
SCHEMBL2561899 0.84 CHRNB2 (0.36) HRH3HPGDRECQLKMT2AMEN1
SCHEMBL1295721 0.83 HRH3 (0.51) HRH3HPGDRECQLCHRM2CHRM1
SCHEMBL28492122 0.83 HRH3 (0.51) HRH3HPGDRECQLCHRM2CHRM1
SCHEMBL186721 0.83 HRH3 (0.51) HRH3HPGDRECQLCHRM2CHRM1
SCHEMBL23727397 0.83 TSHR (0.36) HRH3HPGDRECQLBTKKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118355020-A Therapeutic compounds for HIV virus infection 吉利德科学公司 2024-07-16 CN disclosed
CN-114423740-A Pyrazole derivatives for controlling arthropods 拜耳动物保健有限责任公司 2022-04-29 CN disclosed
CN-113509557-A Targeted protease degradation platform (TED) 嘉兴优博生物技术有限公司 2021-10-19 CN disclosed
CN-111454188-A Cyclopropylamines as L SD1inhibitors 因赛特公司 2020-07-28 CN disclosed
CN-111356456-A 2-arylsulfonamido-iV-arylacetamide derived Stat3 inhibitor 夏威夷大学 2020-06-30 CN disclosed
CN-106164066-B Cyclopropylamines as LSD1inhibitors 因赛特公司 2020-01-17 CN disclosed
CN-106164066-A Cyclopropylamines as lsd1 inhibitors 因赛特公司 2016-11-23 CN disclosed