SCHEMBL7938356

SCHEMBL7938356

C#C[C@]1(O)CC[C@H]2[C@H]3[C@H](C(=C)C[C@@]21C)[C@H]1CCC(=O)C=C1C[C@H]3C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 8/20 0.56
▸ AR P10275 7/20 0.56
▸ ESR1 P03372 6/20 0.56
▸ SHBG P04278 6/20 0.56
▸ OPRM1 P35372 2/20 0.56
▸ LMNA P02545 5/20 0.53
▸ SLC6A4 P31645 5/20 0.53
▸ NR3C1 P04150 5/20 0.53
▸ CYP3A4 P08684 4/20 0.53
▸ CYP2C19 P33261 4/20 0.53
▸ ABCB11 O95342 3/20 0.53
▸ TSHR P16473 2/20 0.53
▸ HIF1A Q16665 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ ADRA2A P08913 1/20 0.53
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ ADORA3 P0DMS8 2/20 0.47
▸ SLC6A3 Q01959 2/20 0.47
▸ PDE4D Q08499 2/20 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
SCHEMBL8058672 0.87 PGR (0.52) PGRARESR1SHBGOPRM1
SCHEMBL10949444 0.86 PGR (0.51) PGRARESR1SHBGOPRM1
SCHEMBL7949830 0.83 ESR1 (0.53) PGRARESR1SHBGOPRM1
SCHEMBL23805202 0.82 PGR (0.72) PGRARESR1SHBGLMNA
SCHEMBL6245967 0.82 PGR (0.72) PGRARESR1SHBGLMNA
SCHEMBL2835215 0.82 PGR (0.72) PGRARESR1SHBGLMNA
SCHEMBL6873042 0.82 PGR (0.72) PGRARESR1SHBGLMNA
SCHEMBL7949842 0.80 PGR (0.52) PGRARESR1SHBGOPRM1
SCHEMBL5150213 0.79 PGR (0.54) PGRARESR1SHBGOPRM1
SCHEMBL10945250 0.77 PGR (0.52) PGRARESR1SHBGOPRM1

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
US-6258803-B1 11-ETHYL-17-HYDROXY-19-NORPREGN-4-EN-20-YN-3-ONE FOR MENOPAUSE TREATMENT AKZO NOBEL N.V. (NL) 2001-07-10 — — US disclosed
US-6037339-A METHOD FOR TREATING OSTEOPOROSIS AKZO NOBEL N.V. (NL) 2000-03-14 — — US disclosed
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