SCHEMBL8653388

SCHEMBL8653388

CC#CC1(O)CCC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3[C@@H](c3ccc(OC)cc3)C[C@@]21C

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 18/20 0.61
▸ PGR P06401 16/20 0.61
▸ AR P10275 13/20 0.61
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2C8 P10632 1/20 0.48

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
SCHEMBL21729781 0.87 NR3C1 (0.68) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL19042656 0.87 NR3C1 (0.68) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL9019810 0.84 PGR (0.65) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL9019798 0.84 NR3C1 (0.67) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL9019846 0.84 NR3C1 (0.83) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL21729697 0.84 NR3C1 (0.64) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL9019833 0.84 PGR (0.64) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL21729674 0.82 NR3C1 (0.69) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL9019799 0.82 NR3C1 (0.63) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL8651981 0.82 NR3C1 (0.50) 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
EP-0567472-B1 D-HOMO-(16-EN)-11 BETA-ARYL-4-ESTRENES, PROCESS FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS SCHERING AG (DE) 1998-10-07 — — EP claimed
Send feedback