SCHEMBL8651981

SCHEMBL8651981

CC#CC1(O)C=CC[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 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 15/20 0.50
▸ PGR P06401 13/20 0.50
▸ AR P10275 9/20 0.50
▸ CYP3A4 P08684 3/20 0.48
▸ LMNA P02545 2/20 0.37
▸ ABCB11 O95342 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ESR1 P03372 1/20 0.37
▸ SHBG P04278 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ CYP2C8 P10632 1/20 0.37

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
SCHEMBL8650867 0.90 PGR (0.49) NR3C1PGRARCYP3A4LMNA
SCHEMBL8650538 0.88 PGR (0.50) NR3C1PGRARCYP3A4LMNA
SCHEMBL8651291 0.87 PGR (0.47) NR3C1PGRARCYP3A4LMNA
SCHEMBL8768886 0.86 NR3C1 (0.49) NR3C1PGRARCYP3A4LMNA
SCHEMBL8651931 0.83 NR3C1 (0.49) NR3C1PGRARCYP3A4LMNA
SCHEMBL8653388 0.82 NR3C1 (0.61) NR3C1PGRARCYP3A4CYP2C8
SCHEMBL8767749 0.77 NR3C1 (0.49) NR3C1PGRARCYP3A4LMNA
SCHEMBL8767965 0.76 NR3C1 (0.46) NR3C1PGRARCYP3A4LMNA
SCHEMBL21729781 0.76 NR3C1 (0.68) NR3C1PGRARCYP3A4LMNA
SCHEMBL19042656 0.76 NR3C1 (0.68) NR3C1PGRARCYP3A4LMNA

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
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