SCHEMBL7864495

SCHEMBL7864495

C#C[C@H]1C[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]21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 7/20 0.47
▸ NR3C1 P04150 6/20 0.47
▸ CYP3A4 P08684 5/20 0.47
▸ ABCB11 O95342 4/20 0.47
▸ LMNA P02545 4/20 0.47
▸ CYP2C19 P33261 3/20 0.47
▸ SLC6A4 P31645 3/20 0.47
▸ ESR1 P03372 2/20 0.47
▸ SHBG P04278 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ ADRA2A P08913 1/20 0.47
▸ AR P10275 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ CHRM1 P11229 1/20 0.43

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
SCHEMBL7861134 0.91 PGR (0.44) PGRNR3C1CYP3A4ABCB11LMNA
SCHEMBL7854625 0.88 PGR (0.58) PGRNR3C1CYP3A4ABCB11LMNA
SCHEMBL7862390 0.87 PGR (0.45) PGRNR3C1CYP3A4ABCB11LMNA
SCHEMBL7854433 0.87 PGR (0.49) PGRNR3C1CYP3A4ABCB11LMNA
SCHEMBL7860091 0.86 PGR (0.46) PGRNR3C1CYP3A4ABCB11LMNA
SCHEMBL7861280 0.85 PGR (0.45) PGRNR3C1CYP3A4ABCB11LMNA
SCHEMBL7862303 0.84 PGR (0.44) PGRNR3C1CYP3A4ABCB11LMNA
SCHEMBL7859913 0.83 PGR (0.56) PGRNR3C1CYP3A4ABCB11LMNA
SCHEMBL7859958 0.82 CYP3A4 (0.58) PGRNR3C1CYP3A4ABCB11LMNA
SCHEMBL7864445 0.80 PDK1 (0.44) PGRNR3C1CYP3A4ABCB11LMNA

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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