SCHEMBL2639416

SCHEMBL2639416

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)C#CCCCl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 8/20 0.69
LMNA P02545 8/20 0.69
NR3C1 P04150 6/20 0.69
SMN1; SMN2 Q16637 5/20 0.69
PGR P06401 5/20 0.69
TSHR P16473 5/20 0.69
AR P10275 4/20 0.69
CYP2C19 P33261 3/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
HIF1A Q16665 2/20 0.69
THRB P10828 1/20 0.69
ESR1 P03372 1/20 0.69
ALDH1A1 P00352 3/20 0.66
ADRA1A P35348 1/20 0.66
HTR2B P41595 1/20 0.66
SERPINA6 P08185 7/20 0.59
BLM P54132 4/20 0.59
MAPT P10636 2/20 0.59
ADORA3 P0DMS8 1/20 0.59

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
SCHEMBL8186233 0.91 SHBG (0.70) SHBGLMNANR3C1SMN1; SMN2PGR
SCHEMBL8186237 0.91 SHBG (0.70) SHBGLMNANR3C1SMN1; SMN2PGR
SCHEMBL8082724 0.91 SHBG (0.70) SHBGLMNANR3C1SMN1; SMN2PGR
SCHEMBL2637912 0.90 SHBG (0.69) SHBGLMNANR3C1SMN1; SMN2PGR
SCHEMBL10946397 0.89 SHBG (0.73) SHBGLMNANR3C1SMN1; SMN2PGR
SCHEMBL10946390 0.89 SHBG (0.73) SHBGLMNANR3C1SMN1; SMN2PGR
SCHEMBL8180275 0.88 SHBG (0.67) SHBGLMNANR3C1SMN1; SMN2PGR
SCHEMBL8172034 0.87 SHBG (0.64) SHBGLMNANR3C1SMN1; SMN2PGR
SCHEMBL8186683 0.87 SHBG (0.64) SHBGLMNANR3C1SMN1; SMN2PGR
SCHEMBL3166846 0.87 SHBG (0.64) SHBGLMNANR3C1SMN1; SMN2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H08510988-A 1996-11-19 JP claimed
WO-1994026767-A1 IMPROVED ANTIANDROGENS ENDORECHERCHE INC. (CA) 1994-11-24 WO claimed
EP-0650495-B1 IMPROVED ANTIANDROGENS ENDORECHERCHE INC (CA) 2000-11-08 EP disclosed
US-6015806-A TOPICAL USE IN THE TREATMENT OF ANDROGEN-DEPENDENT DISEASES ASSOCIATED WITH THE SKIN. ENDORECHERCHE (CA) 2000-01-18 US disclosed
US-5494914-A USEFUL FOR TREATMENT OF DISEASES WHOSE PROGRESS IS AIDED BY ACTIVATION OF ANDROGEN RECEPTORS ENDORECHERCHE (CA) 1996-02-27 US disclosed
EP-0650495-A1 IMPROVED ANTIANDROGENS ENDORECHERCHE INC. (CA) 1995-05-03 EP disclosed
EP-0641211-A1 INHIBITORS OF TESTOSTERONE 5$g(a)-REDUCTASE ACTIVITY ENDORECHERCHE INC. (CA) 1995-03-08 EP disclosed
WO-1994026767-A1 IMPROVED ANTIANDROGENS ENDORECHERCHE INC. (CA) 1994-11-24 WO disclosed
WO-1993023053-A1 INHIBITORS OF TESTOSTERONE 5α-REDUCTASE ACTIVITY ENDORECHERCHE INC. (CA) 1993-11-25 WO disclosed