SCHEMBL10603271

SCHEMBL10603271

C#C[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 5/20 0.70
▸ AR P10275 5/20 0.70
▸ CHRM1 P11229 2/20 0.70
▸ SMN1; SMN2 Q16637 4/20 0.66
▸ NR3C1 P04150 4/20 0.66
▸ LMNA P02545 3/20 0.66
▸ MEN1 O00255 3/20 0.66
▸ KMT2A Q03164 3/20 0.66
▸ HIF1A Q16665 3/20 0.66
▸ CYP2C9 P11712 2/20 0.66
▸ NPSR1 Q6W5P4 2/20 0.66
▸ CYP3A4 P08684 2/20 0.66
▸ MAPK1 P28482 2/20 0.66
▸ ABCB11 O95342 1/20 0.66
▸ POLB P06746 1/20 0.66
▸ TDP1 Q9NUW8 1/20 0.59
▸ CYP19A1 P11511 7/20 0.58
▸ THRB P10828 2/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52

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
Medrogestone SCHEMBL1650494 0.84 PGR (0.78) PGRARCHRM1SMN1; SMN2NR3C1
Medrogestone SCHEMBL13575809 0.84 PGR (0.78) PGRARCHRM1SMN1; SMN2NR3C1
Medrogestone SCHEMBL140614 0.84 PGR (0.78) PGRARCHRM1SMN1; SMN2NR3C1
SCHEMBL2294866 0.83 PGR (1.00) PGRARCHRM1SMN1; SMN2NR3C1
SCHEMBL5020044 0.83 PGR (1.00) PGRARCHRM1SMN1; SMN2NR3C1
SCHEMBL16690685 0.83 PGR (1.00) PGRARCHRM1SMN1; SMN2NR3C1
SCHEMBL8942 0.83 PGR (1.00) PGRARCHRM1SMN1; SMN2NR3C1
Acetic Acid SCHEMBL25192781 0.81 PGR (0.96) PGRARCHRM1SMN1; SMN2NR3C1
Acetic Acid SCHEMBL28104035 0.80 PGR (0.94) PGRARCHRM1SMN1; SMN2NR3C1
Megestrol Acetate SCHEMBL190902 0.79 AR (1.00) PGRARCHRM1SMN1; SMN2NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0152429-B1 PROGESTATIONALLY ACTIVE STEROIDS RESEARCH TRIANGLE INSTITUTE (US) 1989-10-11 — — EP claimed
EP-0152429-A4 PROGESTATIONALLY ACTIVE STEROIDS. RES TRIANGLE INST (US) 1985-12-05 — — EP claimed
EP-0152429-A1 PROGESTATIONALLY ACTIVE STEROIDS. RES TRIANGLE INST (US) 1985-08-28 — — EP claimed
US-4512986-A FERTILITY CONTROL RESEARCH TRIANGLE INSTITUTE (US) 1985-04-23 — — US claimed
WO-1985000609-A1 PROGESTATIONALLY ACTIVE STEROIDS RESEARCH TRIANGLE INSTITUTE (US) 1985-02-14 — — WO claimed
EP-0152429-B1 PROGESTATIONALLY ACTIVE STEROIDS RESEARCH TRIANGLE INSTITUTE (US) 1989-10-11 — — EP disclosed
EP-0152429-A4 PROGESTATIONALLY ACTIVE STEROIDS. RES TRIANGLE INST (US) 1985-12-05 — — EP disclosed
EP-0152429-A1 PROGESTATIONALLY ACTIVE STEROIDS. RES TRIANGLE INST (US) 1985-08-28 — — EP disclosed
US-4512986-A FERTILITY CONTROL RESEARCH TRIANGLE INSTITUTE (US) 1985-04-23 — — US disclosed
WO-1985000609-A1 PROGESTATIONALLY ACTIVE STEROIDS RESEARCH TRIANGLE INSTITUTE (US) 1985-02-14 — — WO disclosed
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