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SCHEMBL8620182

SCHEMBL8620182

CC#C[C@]1(O)CC[C@H]2[C@@H]3C=CC4=CCCC[C@@H]4[C@H]3[C@@H](c3ccc(OS(=O)(=O)C(F)(F)F)cc3)C[C@@]21C

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 18/20 0.40
▸ PGR P06401 12/20 0.40
▸ AR P10275 9/20 0.40
▸ CYP2C8 P10632 1/20 0.34
▸ CYP3A4 P08684 1/20 0.32

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
SCHEMBL8624242 0.87 NR3C1 (0.48) NR3C1PGRARCYP2C8CYP3A4
SCHEMBL8408961 0.76 NR3C1 (0.57) NR3C1PGRARCYP2C8
SCHEMBL8618776 0.74 NR3C1 (0.43) NR3C1PGRARCYP2C8CYP3A4
SCHEMBL8409857 0.73 NR3C1 (0.38) NR3C1PGRARCYP3A4
SCHEMBL8618683 0.71 NR3C1 (0.50) NR3C1PGRARCYP2C8CYP3A4
SCHEMBL8407360 0.71 NR3C1 (0.47) NR3C1PGRARCYP2C8CYP3A4
SCHEMBL8619892 0.70 NR3C1 (0.46) NR3C1PGRARCYP2C8CYP3A4
SCHEMBL8408969 0.68 NR3C1 (0.48) NR3C1PGRARCYP2C8CYP3A4
SCHEMBL8407402 0.68 NR3C1 (0.54) NR3C1PGRARCYP2C8CYP3A4
SCHEMBL8407253 0.68 NR3C1 (0.49) NR3C1PGRARCYP2C8CYP3A4

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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