SCHEMBL2522894

SCHEMBL2522894

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 3/20 0.71
ABCC1 P33527 3/20 0.71
STS P08842 4/20 0.63
CYP2C9 P11712 2/20 0.63
SLCO1B1 Q9Y6L6 1/20 0.63
KDM4E B2RXH2 1/20 0.59
CYP3A4 P08684 1/20 0.58
ESR1 P03372 3/20 0.56
LMNA P02545 3/20 0.56
ESR2 Q92731 2/20 0.56
PGR P06401 2/20 0.56
AR P10275 2/20 0.56
SLC6A3 Q01959 2/20 0.56
CYP2C19 P33261 1/20 0.56
HIF1A Q16665 1/20 0.56
NR3C1 P04150 1/20 0.56
SHBG P04278 1/20 0.56
SERPINA6 P08185 1/20 0.56
PTGS1 P23219 1/20 0.56
SLC6A4 P31645 1/20 0.56

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
SCHEMBL10412522 0.91 ABCC4 (0.72) ABCC4ABCC1STSCYP2C9SLCO1B1
SCHEMBL3232321 0.90 ESR1 (0.70) ABCC4ABCC1STSCYP2C9KDM4E
SCHEMBL5521870 0.90 ABCC4 (0.76) ABCC4ABCC1STSCYP2C9SLCO1B1
SCHEMBL2517551 0.90 ABCC4 (0.76) ABCC4ABCC1STSCYP2C9SLCO1B1
Estradiol Disulfate SCHEMBL231199 0.83 ABCC4 (1.00) ABCC4ABCC1STSCYP2C9SLCO1B1
SCHEMBL29392632 0.83 ABCC4 (1.00) ABCC4ABCC1STSCYP2C9SLCO1B1
SCHEMBL232796 0.83 ABCC4 (1.00) ABCC4ABCC1STSCYP2C9SLCO1B1
SCHEMBL232797 0.83 ABCC4 (1.00) ABCC4ABCC1STSCYP2C9SLCO1B1
SCHEMBL30471686 0.83 ABCC4 (1.00) ABCC4ABCC1STSCYP2C9SLCO1B1
SCHEMBL345570 0.82 STS (0.71) ABCC1STSCYP2C9KDM4ECYP3A4

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
US-20110250274-A1 ESTRIOL FORMULATIONS EVESTRA, INC. 2011-10-13 US disclosed
WO-2010033832-A2 ESTRIOL FORMULATIONS EVESTRA, INC. (US) 2010-03-25 WO disclosed
US-20070243217-A1 Film-Shaped Medicament for Oral Administration Containing Estriol HF ARZNEIMITTELFORSCHUNG GMBH (DE) 2007-10-18 US disclosed
EP-1761242-A2 FILM-SHAPED ESTRIOL-CONTAINING MEDICAMENT FOR ORAL ADMINISTRATION HF Arzneimittelforschung GmbH (DE) 2007-03-14 EP disclosed
WO-2005110358-A2 FILM-SHAPED ESTRIOL-CONTAINING MEDICAMENT FOR ORAL ADMINISTRATION HF ARZNEIMITTELFORSCHUNG GMBH (DE) 2005-11-24 WO disclosed