SCHEMBL8410403

SCHEMBL8410403

CCOC1=CC2=CC[C@@H]3[C@H]([C@@H](c4ccc(O)cc4)C[C@@]4(C)[C@H]3CC[C@@]4(O)CC#N)[C@H]2CC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 8/20 0.35
▸ PGR P06401 8/20 0.35
▸ AR P10275 7/20 0.35
▸ STS P08842 9/20 0.33
▸ CYP3A4 P08684 1/20 0.31
▸ ABCB11 O95342 1/20 0.31

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
SCHEMBL8623329 0.79 NR3C1 (0.51) NR3C1PGRARCYP3A4ABCB11
SCHEMBL8624910 0.78 NR3C1 (0.52) NR3C1PGRARCYP3A4
SCHEMBL8407122 0.75 PGR (0.40) NR3C1PGRARCYP3A4
SCHEMBL9811526 0.74 LMNA (0.30) NR3C1PGRCYP3A4ABCB11
SCHEMBL8618776 0.73 NR3C1 (0.43) NR3C1PGRARCYP3A4
SCHEMBL8409143 0.73 PGR (0.42) NR3C1PGRARCYP3A4ABCB11
SCHEMBL8409403 0.71 SRD5A2 (0.39) NR3C1PGRAR
SCHEMBL8409113 0.71 SRD5A2 (0.39) NR3C1PGRARCYP3A4
SCHEMBL9222376 0.69 AR (0.39) NR3C1PGRARCYP3A4ABCB11
SCHEMBL9222367 0.69 AR (0.39) NR3C1PGRARCYP3A4ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0565553-B1 6,7-MODIFIED 11$g(b)-ARYL-4-ESTRENES SCHERING AG (DE) 1999-07-21 — — EP disclosed
US-5843931-A 6,7-modified 11β-aryl-4-oestrenes SHERING AKTIENGESELLSCHAFT (DE) 1998-12-01 — — US disclosed
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