SCHEMBL7200712

SCHEMBL7200712

C[C@H](N)C(=O)OC/C=C\[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 16/20 0.59
▸ NR3C1 P04150 15/20 0.59
▸ AR P10275 11/20 0.59
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C8 P10632 1/20 0.41

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
SCHEMBL7197858 0.88 PGR (0.56) PGRNR3C1ARCYP3A4CYP2C8
SCHEMBL4665348 0.88 PGR (0.65) PGRNR3C1ARCYP3A4CYP2C8
SCHEMBL7148540 0.88 PGR (0.65) PGRNR3C1ARCYP3A4CYP2C8
SCHEMBL7148546 0.88 PGR (0.65) PGRNR3C1ARCYP3A4CYP2C8
SCHEMBL6453812 0.88 PGR (0.65) PGRNR3C1ARCYP3A4CYP2C8
SCHEMBL7199834 0.85 PGR (0.57) PGRNR3C1ARCYP3A4CYP2C8
SCHEMBL9019768 0.81 PGR (0.68) PGRNR3C1ARCYP3A4CYP2C8
SCHEMBL9019815 0.80 PGR (0.51) PGRNR3C1ARCYP3A4
SCHEMBL8541351 0.79 PGR (0.53) PGRNR3C1ARCYP3A4
SCHEMBL8538261 0.79 PGR (0.53) PGRNR3C1ARCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596713-B1 Antigestagenic, antiglucocorticoidal, antimineralcorticoidal or antiandrogenic effect SCHERING AKTIENGESELLSCHAFT (DE) 2003-07-22 — — US disclosed
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