SCHEMBL8623116

SCHEMBL8623116

CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(CO)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.75
AR P10275 3/20 0.75
CHRM1 P11229 2/20 0.75
NR3C1 P04150 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
LMNA P02545 4/20 0.56
CYP2C19 P33261 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 2/20 0.56
ADORA3 P0DMS8 2/20 0.56
SHBG P04278 2/20 0.56
SERPINA6 P08185 2/20 0.56
BLM P54132 2/20 0.56
MAPK3 P27361 1/20 0.56
SLC6A3 Q01959 1/20 0.56
CYP19A1 P11511 7/20 0.54
HIF1A Q16665 4/20 0.53
CYP3A4 P08684 4/20 0.53
CYP2C9 P11712 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
Ethylene Glycol SCHEMBL28094936 0.86 PGR (0.92) PGRARCHRM1NR3C1SMN1; SMN2
SCHEMBL7761979 0.86 PGR (0.70) PGRARCHRM1NR3C1SMN1; SMN2
SCHEMBL5020044 0.86 PGR (1.00) PGRARCHRM1NR3C1SMN1; SMN2
SCHEMBL16690685 0.86 PGR (1.00) PGRARCHRM1NR3C1SMN1; SMN2
SCHEMBL8942 0.86 PGR (1.00) PGRARCHRM1NR3C1SMN1; SMN2
SCHEMBL2294866 0.86 PGR (1.00) PGRARCHRM1NR3C1SMN1; SMN2
Chlormadinone SCHEMBL37291 0.85 PGR (0.78) PGRARCHRM1NR3C1SMN1; SMN2
Chlormadinone SCHEMBL13358512 0.85 PGR (0.78) PGRARCHRM1NR3C1SMN1; SMN2
SCHEMBL11510962 0.85 PGR (0.78) PGRARCHRM1NR3C1SMN1; SMN2
Acetic Acid SCHEMBL25192781 0.84 PGR (0.96) PGRARCHRM1NR3C1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5795884-A AND SYNDROMES LINKED TO IT SUCH AS HOT FLUSHES, SKIN PROBLEMS AND CIRCULASTORY DISORDERS LABORATOIRE THERAMEX SA (FR) 1998-08-18 US disclosed