SCHEMBL4082888

SCHEMBL4082888

CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=CC4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
AR P10275 7/20 0.54
NR3C1 P04150 7/20 0.54
CYP3A4 P08684 7/20 0.54
PGR P06401 7/20 0.54
LMNA P02545 6/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
CYP2C9 P11712 3/20 0.54
MAPK1 P28482 3/20 0.54
NPSR1 Q6W5P4 3/20 0.54
HIF1A Q16665 2/20 0.54
ABCB11 O95342 2/20 0.54
POLB P06746 1/20 0.54
ALDH1A1 P00352 4/20 0.53
CHRM2 P08172 3/20 0.53
CHRM1 P11229 3/20 0.53
USP2 O75604 2/20 0.53
TBXA2R P21731 2/20 0.53
CYP2C19 P33261 2/20 0.53

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
SCHEMBL4082890 1.00 MEN1 (0.63) MEN1KMT2AARNR3C1CYP3A4
SCHEMBL5925193 0.84 PGR (0.70) MEN1KMT2AARNR3C1CYP3A4
SCHEMBL149089 0.84 PGR (0.70) MEN1KMT2AARNR3C1CYP3A4
SCHEMBL4415818 0.82 MEN1 (0.60) MEN1KMT2AARNR3C1CYP3A4
SCHEMBL4407552 0.82 MEN1 (0.60) MEN1KMT2AARNR3C1CYP3A4
SCHEMBL20843739 0.81 AR (0.72) MEN1KMT2AARNR3C1CYP3A4
SCHEMBL1405853 0.80 NR3C1 (0.73) MEN1KMT2AARNR3C1CYP3A4
SCHEMBL8000538 0.80 NR3C1 (0.73) MEN1KMT2AARNR3C1CYP3A4
SCHEMBL1406037 0.80 NR3C1 (0.73) MEN1KMT2AARNR3C1CYP3A4
SCHEMBL1405851 0.80 NR3C1 (0.73) MEN1KMT2AARNR3C1CYP3A4

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-2749278-A1 Gestagen combination and an insulin sensitizer for treating PCOS Richter Gedeon NYRT (HU) 2014-07-02 EP disclosed
US-20090118245-A1 MEDICAMENT GRUNENTHAL GMBH (DE) 2009-05-07 US disclosed
EP-2029129-A1 GESTAGEN COMBINATION AND AN INSULIN SENSITIZER FOR TREATING PCOS Grünenthal GmbH (DE) 2009-03-04 EP disclosed
WO-2007137797-A1 GESTAGEN COMBINATION AND AN INSULIN SENSITIZER FOR TREATING PCOS Grünenthal GmbH (DE) 2007-12-06 WO disclosed