SCHEMBL8407025

SCHEMBL8407025

CC#C[C@]1(O)CC[C@H]2[C@H]3[C@H]([C@@H](c4ccc(OC)cc4)C[C@@]21C)[C@H]1CCC(=O)C=C1C[C@H]3C

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 18/20 0.58
▸ PGR P06401 11/20 0.58
▸ AR P10275 9/20 0.58
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C8 P10632 1/20 0.47

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
SCHEMBL8408966 1.00 NR3C1 (0.58) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL8653388 0.82 NR3C1 (0.61) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL10944303 0.81 NR3C1 (0.45) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL8408961 0.80 NR3C1 (0.57) NR3C1PGRARCYP2C8
SCHEMBL8621595 0.79 NR3C1 (0.60) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL21729781 0.79 NR3C1 (0.68) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL19042656 0.79 NR3C1 (0.68) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL24476242 0.78 PGR (0.53) NR3C1PGRARCYP3A4
SCHEMBL9019810 0.77 PGR (0.65) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL9019846 0.77 NR3C1 (0.83) 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 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 claimed
US-5843931-A 6,7-modified 11β-aryl-4-oestrenes SHERING AKTIENGESELLSCHAFT (DE) 1998-12-01 — — US disclosed
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