SCHEMBL1415037

SCHEMBL1415037

C[C@]12CC(O[N+](=O)[O-])[C@@H]3c4c(cc(O)c(O)c4O)CC[C@H]3[C@@H]1CCC2O[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
STS P08842 5/20 0.34
CYP3A4 P08684 4/20 0.34
CYP19A1 P11511 3/20 0.34
MEN1 O00255 3/20 0.34
LMNA P02545 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.34
CYP1A2 P05177 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP1A1 P04798 2/20 0.34
CYP1B1 Q16678 2/20 0.34
SHBG P04278 2/20 0.34
GAA P10253 2/20 0.34
TP53 P04637 2/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
THPO P40225 1/20 0.34

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
SCHEMBL10356258 0.80 HSD17B10 (0.52) CA2CA9STSCYP3A4MEN1
SCHEMBL8775736 0.80 HSD17B10 (0.52) CA2CA9STSCYP3A4MEN1
SCHEMBL8987888 0.67
SCHEMBL8970922 0.64 AKR1C3 (0.42) STSCYP3A4MEN1LMNAKMT2A
SCHEMBL13240148 0.61 STS (0.60) CA2CA9STSCYP3A4MEN1
SCHEMBL6130971 0.61 CA2 (0.58) CA2CA9STSCYP3A4MEN1
SCHEMBL9111396 0.60 AKR1C3 (0.81) CA2CA9STSCYP3A4CYP19A1
SCHEMBL10523535 0.59 ESR1 (0.69) STSCYP3A4CYP19A1MEN1LMNA
SCHEMBL13645679 0.59 HSD17B10 (0.49) CA2CA9STSCYP3A4MEN1
SCHEMBL10524367 0.58 CYP3A4 (0.52) CA2STSCYP3A4MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2367808-A2 PROGESTATIONAL 3-(6,6-ETHYLENE-17b-HYDROXY-3-OXO-17a-PREGNA-4-ENE-17a-YL) PROPIONIC ACID g-LACTONES Evestra, Inc. (US) 2011-09-28 EP disclosed
EP-2293779-A1 ORAL CONTRACEPTIVE DOSAGE FORMS COMPRISING A PROGESTOGEN DISPERSED IN AN ENTERIC POLYMER AND FURTHER COMPRISING AN ESTROGEN Evestra, Inc. (US) 2011-03-16 EP disclosed
WO-2010068500-A2 PROGESTATIONAL 3-(6,6-ETHYLENE-17b-HYDROXY-3-OXO-17a-PREGNA-4-ENE-17a -YL) PROPIONIC ACID g-LACTONES EVESTRA, INC. (US) 2010-06-17 WO disclosed
WO-2009132208-A1 ORAL CONTRACEPTIVE DOSAGE FORMS COMPRISING A PROGESTOGEN DISPERSED IN AN ENTERIC POLYMER AND FURTHER COMPRISING AN ESTROGEN EVESTRA, INC. (US) 2009-10-29 WO disclosed