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SCHEMBL8618776

SCHEMBL8618776

CC#C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C=C(OCC)CC[C@@H]4[C@H]3[C@@H](c3ccc(OS(=O)(=O)C(F)(F)F)cc3)C[C@@]21C

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 19/20 0.43
▸ PGR P06401 17/20 0.43
▸ AR P10275 13/20 0.43
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C8 P10632 1/20 0.38

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
SCHEMBL8624910 0.89 NR3C1 (0.52) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL8623329 0.85 NR3C1 (0.51) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL8407060 0.82 SRD5A2 (0.38) CYP3A4
SCHEMBL8624242 0.78 NR3C1 (0.48) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL8618683 0.77 NR3C1 (0.50) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL8620182 0.74 NR3C1 (0.40) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL8410403 0.73 NR3C1 (0.35) NR3C1PGRARCYP3A4
SCHEMBL8409403 0.71 SRD5A2 (0.39) NR3C1PGRAR
SCHEMBL13417606 0.68 NR3C1 (0.80) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL8409857 0.67 NR3C1 (0.38) NR3C1PGRARCYP3A4

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-5843931-A 6,7-modified 11β-aryl-4-oestrenes SHERING AKTIENGESELLSCHAFT (DE) 1998-12-01 — — US disclosed
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