SCHEMBL8940218

SCHEMBL8940218

C[C@]12CC[C@]3(O)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2(O)C#CCl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
NR3C1 P04150 11/20 0.47
AR P10275 9/20 0.47
PGR P06401 9/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP2C19 P33261 2/20 0.46
HIF1A Q16665 2/20 0.46
LMNA P02545 2/20 0.46
THRB P10828 1/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 1/20 0.46
ESR1 P03372 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HRH1 P35367 1/20 0.42
NR3C2 P08235 1/20 0.41
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL8940214 1.00 SHBG (0.48) SHBGALDH1A1MAPK1NR3C1AR
SCHEMBL8940012 0.89 SHBG (0.50) SHBGALDH1A1MAPK1NR3C1AR
SCHEMBL3363903 0.89 SHBG (0.50) SHBGALDH1A1MAPK1NR3C1AR
SCHEMBL8940013 0.89 SHBG (0.50) SHBGALDH1A1MAPK1NR3C1AR
SCHEMBL3363905 0.89 SHBG (0.50) SHBGALDH1A1MAPK1NR3C1AR
SCHEMBL8940014 0.89 SHBG (0.50) SHBGALDH1A1MAPK1NR3C1AR
SCHEMBL3363910 0.89 SHBG (0.50) SHBGALDH1A1MAPK1NR3C1AR
SCHEMBL8940128 0.87 NR3C1 (0.61) SHBGALDH1A1MAPK1NR3C1AR
SCHEMBL8940028 0.87 NR3C1 (0.61) SHBGALDH1A1MAPK1NR3C1AR
SCHEMBL8940008 0.87 NR3C1 (0.61) SHBGALDH1A1MAPK1NR3C1AR

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
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