SCHEMBL8618678

SCHEMBL8618678

CSc1ccc(-c2ccc([C@H]3C[C@@]4(C)[C@@H](CC[C@@]4(O)C#CCO)[C@@H]4C=CC5=CC(=O)CC[C@@H]5[C@H]43)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 17/20 0.45
▸ PGR P06401 16/20 0.41
▸ AR P10275 14/20 0.41
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C8 P10632 1/20 0.36
▸ NR3C2 P08235 1/20 0.36

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
SCHEMBL8407402 0.92 NR3C1 (0.54) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL8407284 0.89 NR3C1 (0.41) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL8407111 0.85 NR3C1 (0.38) NR3C1PGRARCYP3A4NR3C2
SCHEMBL8407053 0.83 NR3C1 (0.36) NR3C1PGRARCYP3A4NR3C2
SCHEMBL8408969 0.81 NR3C1 (0.48) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL8620050 0.80 NR3C1 (0.47) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL8407360 0.80 NR3C1 (0.47) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL8407253 0.80 NR3C1 (0.49) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL8408961 0.79 NR3C1 (0.57) NR3C1PGRARCYP2C8
SCHEMBL8622523 0.78 NR3C1 (0.59) NR3C1PGRARCYP3A4CYP2C8

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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