SCHEMBL21067318

SCHEMBL21067318

C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)Oc5ccc6c(c5)CC[C@@H]5[C@@H]6CC[C@]6(C)C(=O)CC[C@@H]56)cc4CC[C@H]3[C@@H]1CCC2=O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 11/20 0.84
CA1 P00915 3/20 0.84
CA2 P00918 3/20 0.84
CA9 Q16790 3/20 0.84
ESR1 P03372 2/20 0.84
ESR2 Q92731 2/20 0.84
KDM4E B2RXH2 2/20 0.84
ABCC4 O15439 1/20 0.84
CYP2C9 P11712 1/20 0.84
ABCC1 P33527 1/20 0.84
SLCO1B1 Q9Y6L6 1/20 0.84
CA4 P22748 1/20 0.84
CA6 P23280 1/20 0.84
HSD17B1 P14061 3/20 0.79
LMNA P02545 2/20 0.79
MAPT P10636 2/20 0.79
RECQL P46063 1/20 0.79
SMN1; SMN2 Q16637 1/20 0.79
CYP3A4 P08684 3/20 0.76
AKR1B10 O60218 1/20 0.69

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
SCHEMBL17531381 0.92 STS (0.82) STSCA1CA2CA9ESR1
SCHEMBL8034430 0.92 STS (0.82) STSCA1CA2CA9ESR1
Estrone Sulfuric Acid SCHEMBL4812138 0.91 KDM4E (0.96) STSCA1CA2CA9ESR1
SCHEMBL21034361 0.91 STS (0.80) STSCA1CA2CA9ESR1
Estrone Sulfuric Acid SCHEMBL22846 0.91 STS (1.00) STSCA1CA2CA9ESR1
Estrone Sulfuric Acid SCHEMBL2296097 0.91 KDM4E (0.96) STSCA1CA2CA9ESR1
Emate SCHEMBL6370815 0.91 STS (1.00) STSCA1CA2CA9ESR1
Emate SCHEMBL14548146 0.91 STS (1.00) STSCA1CA2CA9ESR1
Estrone Sulfuric Acid SCHEMBL12920398 0.91 STS (1.00) STSCA1CA2CA9ESR1
Emate SCHEMBL10062721 0.91 STS (1.00) STSCA1CA2CA9ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116656771-A Detection method for judging whether test object is SLC transporter substrate or inhibitor 江苏鼎泰药物研究(集团)股份有限公司 2023-08-29 CN claimed
CN-1780634-A Methods and compositions using gonadotropin hormone releasing hormone DEBIOPHARM SA (CH) 2006-05-31 CN claimed
CN-116656771-A Detection method for judging whether test object is SLC transporter substrate or inhibitor 江苏鼎泰药物研究(集团)股份有限公司 2023-08-29 CN disclosed
CN-218280757-U Filter equipment is used in preparation of estrone sulfate piperazine 上海高准医药有限公司(CN) 2023-01-13 CN disclosed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
CN-114306388-A Deer fetus freeze-dried decoction pieces and preparation method thereof 江西纳弗堂制药有限公司 2022-04-12 CN disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
CN-101316856-A Prodrugs of ER-beta-selective substances method for production thereof and pharmaceutical compositions comprising the same SCHERING AG (DE) 2008-12-03 CN disclosed
CN-1780634-A Methods and compositions using gonadotropin hormone releasing hormone DEBIOPHARM SA (CH) 2006-05-31 CN disclosed
CN-1148180-C Compounds for treatment of estrogen-dependent illnesses and methods for making and using same ������˹�ضſϴ�ѧ 2004-05-05 CN disclosed
CN-1326345-A Compounds for treatment of estrogen-dependent illnesses and methods for making and using same DUQUESNE UNIV OF THE HOLY GHOS (US) 2001-12-12 CN disclosed