SCHEMBL8177995

SCHEMBL8177995

C[C@]12CC[C@@H]3c4ccc(OC(=O)c5ccccc5)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.78
LMNA P02545 4/20 0.78
ATM Q13315 3/20 0.78
SMN1; SMN2 Q16637 3/20 0.78
NR3C1 P04150 2/20 0.78
SHBG P04278 2/20 0.78
SLC6A4 P31645 2/20 0.78
ADORA3 P0DMS8 2/20 0.78
KMT2A Q03164 2/20 0.78
FYN P06241 1/20 0.78
ADRA2C P18825 1/20 0.78
SLC6A2 P23975 1/20 0.78
HTR2B P41595 1/20 0.78
HTT P42858 1/20 0.78
CYP3A4 P08684 2/20 0.70
MAPT P10636 3/20 0.69
USP2 O75604 1/20 0.69
MAPK1 P28482 1/20 0.69
ESR2 Q92731 2/20 0.63
PGR P06401 2/20 0.63

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
SCHEMBL14360870 1.00 ESR1 (0.78) ESR1LMNAATMSMN1; SMN2NR3C1
SCHEMBL10360627 0.91 ESR1 (0.73) ESR1LMNAATMSMN1; SMN2NR3C1
SCHEMBL8208515 0.89 ESR1 (0.71) ESR1LMNAATMSMN1; SMN2NR3C1
SCHEMBL8208518 0.88 ESR1 (0.72) ESR1LMNAATMSMN1; SMN2NR3C1
SCHEMBL11217743 0.88 ESR1 (0.69) ESR1LMNAATMSMN1; SMN2NR3C1
Estradiol Benzoate SCHEMBL12180364 0.88 ESR1 (1.00) ESR1LMNAATMSMN1; SMN2NR3C1
Estradiol Benzoate SCHEMBL301616 0.88 ESR1 (1.00) ESR1LMNAATMSMN1; SMN2NR3C1
Estradiol Benzoate SCHEMBL22049057 0.88 ESR1 (1.00) ESR1LMNAATMSMN1; SMN2NR3C1
Estradiol Benzoate SCHEMBL18467889 0.88 ESR1 (1.00) ESR1LMNAATMSMN1; SMN2NR3C1
Estradiol Benzoate SCHEMBL174896 0.88 ESR1 (1.00) ESR1LMNAATMSMN1; SMN2NR3C1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111433577-B Temperature detection label and article management device using same 株式会社日立制作所 2021-09-21 CN disclosed
CN-110603431-B Temperature detection material, temperature detection ink using same, temperature indicator, and article management system 株式会社日立产机系统 2021-06-15 CN disclosed
EP-2484383-B1 METHOD FOR IMPROVING THE AQUEOUS SOLUBILITY OF POORLY-SOLUBLE SUBSTANCES SANGI KK (JP) 2021-04-28 EP disclosed
EP-3054940-B1 COMPOSITIONS AND METHODS FOR TREATING NON-ALCOHOLIC STEATOHEPATITIS MOCHIDA PHARM CO LTD (JP) 2020-09-23 EP disclosed
CN-110603431-A Temperature detection material, temperature detection ink using same, temperature indicator, and article management system 株式会社日立产机系统 2019-12-20 CN disclosed
EP-3054940-A1 COMPOSITIONS AND METHODS FOR TREATING NON-ALCOHOLIC STEATOHEPATITIS Mochida Pharmaceutical Co., Ltd. (JP) 2016-08-17 EP disclosed
US-20160213639-A1 COMPOSITIONS AND METHODS FOR TREATING NON-ALCOHOLIC STEATOHEPATITIS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2016-07-28 US disclosed
US-9248103-B2 Method for improving water solubility of slightly soluble substance KABUSHIKI KAISHA SANGI (JP) 2016-02-02 US disclosed
US-9023398-B2 Method for improving the aqueous solubility of poorly-soluble substances KABUSHIKI KAISHA SANGI (JP) 2015-05-05 US disclosed
WO-2015053379-A1 COMPOSITIONS AND METHODS FOR TREATING NON-ALCOHOLIC STEATOHEPATITIS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2015-04-16 WO disclosed
EP-0873751-A2 Pharmaceutical product for application to uterus mucosa TAKEDA CHEMICAL INDUSTRIES, Ltd. (JP) 1998-10-28 EP disclosed
US-5578589-A Method for suppressing an immunoresponse with an estradiol derivative-chlorambucil conjugate KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1996-11-26 US disclosed
US-5576309-A HEMATOPOIETIC OR SOLID TUMOR TREATMENT KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1996-11-19 US disclosed
US-5354745-A Antitumor agents KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1994-10-11 US disclosed
EP-0424954-B1 Pharmaceutical composition for treatment of osteoporosis NIPPON ZOKI PHARMACEUTICAL CO (JP) 1994-04-27 EP disclosed
US-5116828-A Estrogen and thyroid hormone NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1992-05-26 US disclosed
EP-0253901-B1 SUSTAINED-RELEASE PREPARATION TEIJIN LIMITED (JP) 1991-12-27 EP disclosed
EP-0424954-A1 Pharmaceutical composition for treatment of osteoporosis NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1991-05-02 EP disclosed
US-4990340-A Percutaneous administration without skin irritability TEIJIN LIMITED (JP) 1991-02-05 US disclosed
EP-0253901-A1 SUSTAINED-RELEASE PREPARATION TEIJIN LIMITED (JP) 1988-01-27 EP disclosed