SCHEMBL7761979

SCHEMBL7761979

C=CCCC1=C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)C(C)=O)[C@@]2(C)CCC(=O)C=C12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.70
AR P10275 3/20 0.70
CHRM1 P11229 2/20 0.70
CYP19A1 P11511 9/20 0.52
MEN1 O00255 4/20 0.51
LMNA P02545 4/20 0.51
KMT2A Q03164 4/20 0.51
NR3C1 P04150 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
CYP2C19 P33261 3/20 0.51
MAPT P10636 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
SHBG P04278 1/20 0.51
SERPINA6 P08185 1/20 0.51
MAPK3 P27361 1/20 0.51
BLM P54132 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HIF1A Q16665 3/20 0.51
CYP2C9 P11712 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51

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
SCHEMBL8623116 0.86 PGR (0.75) PGRARCHRM1CYP19A1MEN1
SCHEMBL7763543 0.85 AR (0.72) PGRARCHRM1CYP19A1MEN1
SCHEMBL5020044 0.83 PGR (1.00) PGRARCHRM1CYP19A1MEN1
SCHEMBL8942 0.83 PGR (1.00) PGRARCHRM1CYP19A1MEN1
SCHEMBL16690685 0.83 PGR (1.00) PGRARCHRM1CYP19A1MEN1
SCHEMBL2294866 0.83 PGR (1.00) PGRARCHRM1CYP19A1MEN1
Ethylene Glycol SCHEMBL28094936 0.81 PGR (0.92) PGRARCHRM1CYP19A1MEN1
Acetic Acid SCHEMBL25192781 0.81 PGR (0.96) PGRARCHRM1CYP19A1MEN1
Acetic Acid SCHEMBL28104035 0.80 PGR (0.94) PGRARCHRM1CYP19A1MEN1
Chlormadinone SCHEMBL13358512 0.80 PGR (0.78) PGRARCHRM1CYP19A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1094798-A2 INHIBITORS OF TYPE 5 AND TYPE 3 17beta-HYDROXYSTEROID DEHYDROGENASE AND METHODS FOR THEIR USE Endorecherche Inc. (CA) 2001-05-02 EP disclosed
WO-1999046279-A2 INHIBITORS OF TYPE 5 AND TYPE 3 17β-HYDROXYSTEROID DEHYDROGENASE AND METHODS FOR THEIR USE ENDORECHERCHE, INC. (CA) 1999-09-16 WO disclosed