SCHEMBL7861454

SCHEMBL7861454

C=C1C[C@@]2(C)[C@@H](CC[C@@]2(O)C(=C)CCCO)[C@@H]2CCC3=CC(=O)CC[C@@H]3[C@@H]12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SHBG P04278 4/20 0.53
▸ PGR P06401 4/20 0.53
▸ AR P10275 3/20 0.53
▸ ESR1 P03372 2/20 0.53
▸ OPRM1 P35372 1/20 0.53
▸ CYP3A4 P08684 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ ABCB11 O95342 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ NR3C1 P04150 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ SERPINA6 P08185 3/20 0.40
▸ SLC22A1 O15245 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ NR3C2 P08235 1/20 0.39
▸ HSD17B10 Q99714 3/20 0.39

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
SCHEMBL7862455 0.91 SHBG (0.56) SHBGPGRARESR1OPRM1
SCHEMBL7861224 0.89 PGR (0.53) SHBGPGRARESR1OPRM1
SCHEMBL7862281 0.85 CYP3A4 (0.58) SHBGPGRARESR1CYP3A4
SCHEMBL7860061 0.83 PGR (0.51) SHBGPGRARESR1OPRM1
SCHEMBL7862295 0.83 PGR (0.51) SHBGPGRARESR1OPRM1
SCHEMBL7854406 0.83 PGR (0.51) SHBGPGRARESR1OPRM1
SCHEMBL7861412 0.82 PGR (0.50) SHBGPGRARESR1OPRM1
SCHEMBL7862380 0.82 PGR (0.50) SHBGPGRARESR1OPRM1
SCHEMBL7861396 0.82 PGR (0.50) SHBGPGRARESR1OPRM1
SCHEMBL7859919 0.82 PGR (0.50) SHBGPGRARESR1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709394-B1 Steroids with a 17-spiromethylene lactone or lactol group AKZO NOBEL NV (NL) 2001-01-31 — — EP disclosed
US-5741786-A PROGESTATIONAL ACTIVITY, USED AS CONTRACEPTIVES AKZO NOBEL N.V. (NL) 1998-04-21 — — US disclosed
EP-0709394-A2 Steroids with a 17-spiromethylene lactone or lactol group Akzo Nobel N.V. (NL) 1996-05-01 — — EP disclosed
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