SCHEMBL7861224

SCHEMBL7861224

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 5/20 0.53
▸ SHBG P04278 3/20 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
▸ ABCB11 O95342 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ NR3C1 P04150 3/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ FNTA P49354 1/20 0.42
▸ FNTB P49356 1/20 0.42
▸ SERPINA6 P08185 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ CHRM2 P08172 1/20 0.40

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
SCHEMBL7861454 0.89 SHBG (0.53) PGRSHBGARESR1OPRM1
SCHEMBL7862455 0.89 SHBG (0.56) PGRSHBGARESR1OPRM1
SCHEMBL7854426 0.89 PGR (0.45) PGRSHBGARESR1OPRM1
SCHEMBL7860061 0.87 PGR (0.51) PGRSHBGARESR1OPRM1
SCHEMBL7862295 0.87 PGR (0.51) PGRSHBGARESR1OPRM1
SCHEMBL7854406 0.87 PGR (0.51) PGRSHBGARESR1OPRM1
SCHEMBL7861396 0.86 PGR (0.50) PGRSHBGARESR1OPRM1
SCHEMBL7861412 0.86 PGR (0.50) PGRSHBGARESR1OPRM1
SCHEMBL7862380 0.86 PGR (0.50) PGRSHBGARESR1OPRM1
SCHEMBL7859919 0.86 PGR (0.50) PGRSHBGARESR1OPRM1

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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