SCHEMBL8940002

SCHEMBL8940002

C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(O)CC[C@@]21C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.61
PGR P06401 5/20 0.61
SHBG P04278 4/20 0.61
LMNA P02545 3/20 0.61
AR P10275 3/20 0.61
ESR1 P03372 3/20 0.61
CYP2C19 P33261 3/20 0.61
HIF1A Q16665 3/20 0.61
TSHR P16473 2/20 0.61
THRB P10828 1/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 2/20 0.49
ABCB11 O95342 2/20 0.49
HSD17B10 Q99714 1/20 0.49
ADRA2A P08913 1/20 0.49
SLC6A4 P31645 1/20 0.49
MAPK1 P28482 1/20 0.47

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
SCHEMBL8940028 1.00 NR3C1 (0.61) NR3C1PGRSHBGLMNAAR
SCHEMBL8940008 1.00 NR3C1 (0.61) NR3C1PGRSHBGLMNAAR
SCHEMBL8940128 1.00 NR3C1 (0.61) NR3C1PGRSHBGLMNAAR
SCHEMBL3363903 0.89 SHBG (0.50) NR3C1PGRSHBGLMNAAR
SCHEMBL3363905 0.89 SHBG (0.50) NR3C1PGRSHBGLMNAAR
SCHEMBL3363910 0.89 SHBG (0.50) NR3C1PGRSHBGLMNAAR
SCHEMBL8940013 0.89 SHBG (0.50) NR3C1PGRSHBGLMNAAR
SCHEMBL8940012 0.89 SHBG (0.50) NR3C1PGRSHBGLMNAAR
SCHEMBL8940014 0.89 SHBG (0.50) NR3C1PGRSHBGLMNAAR
SCHEMBL8940218 0.87 SHBG (0.48) NR3C1PGRSHBGLMNAAR

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
WO-1988002753-A2 9-ALPHA-HYDROXY STEROIDS AND PROCESS FOR THEIR PREPARATION GIST-BROCADES N.V. (NL) 1988-04-21 WO claimed
US-5565588-A 9-alpha-hydroxy steroids, process for their preparation, process for the preparation of the corresponding 9(11)-dehydro derivatives and pharmaceutical preparations containing said steroids ROUSSEL UCLAF (FR) 1996-10-15 US disclosed
US-5352809-A 9-alpha-hydroxy steroids, process for their preparation, process for the preparation of the corresponding 9(11)-dehydro derivatives and pharmaceutical preparations containing such steroids GIST-BROCADES N.V. (NL) 1994-10-04 US disclosed
EP-0263569-B1 9-alpha-hydroxysteroids, process for their preparation and process for the preparation of the corresponding 9(11)-dehydro-derivatives. ROUSSEL-UCLAF (FR) 1992-12-09 EP disclosed
EP-0263569-A2 9-alpha-hydroxysteroids, process for their preparation and process for the preparation of the corresponding 9(11)-dehydro-derivatives. ROUSSEL-UCLAF (FR) 1988-04-13 EP disclosed