SCHEMBL19042776

SCHEMBL19042776

COc1ccc([C@H]2CC3(C)[C@@H](CC[C@@]3(O)C#CC3CC3)[C@@H]3CCC4=CC(=O)CC[C@]4(C)C23)cc1

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 15/20 0.84
▸ PGR P06401 15/20 0.84
▸ AR P10275 11/20 0.84
▸ CYP2C8 P10632 1/20 0.69
▸ HIF1A Q16665 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ THRB P10828 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ESR1 P03372 1/20 0.48
▸ SHBG P04278 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 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
SCHEMBL19042730 1.00 NR3C1 (0.84) NR3C1PGRARCYP2C8HIF1A
SCHEMBL19042731 0.91 NR3C1 (1.00) NR3C1PGRARCYP2C8HIF1A
SCHEMBL22861557 0.91 NR3C1 (1.00) NR3C1PGRARCYP2C8HIF1A
SCHEMBL19042672 0.90 NR3C1 (1.00) NR3C1PGRARCYP2C8THRB
SCHEMBL22861542 0.90 NR3C1 (1.00) NR3C1PGRARCYP2C8THRB
SCHEMBL20048343 0.88 NR3C1 (0.76) NR3C1PGRARCYP2C8HIF1A
SCHEMBL20048067 0.88 NR3C1 (0.85) NR3C1PGRARCYP2C8HIF1A
SCHEMBL20048338 0.87 NR3C1 (0.85) NR3C1PGRARCYP2C8
SCHEMBL20048346 0.83 NR3C1 (0.85) NR3C1PGRARCYP2C8HIF1A
SCHEMBL30324821 0.83 NR3C1 (0.85) NR3C1PGRARCYP2C8HIF1A

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
WO-2017112909-A1 INHIBITORS OF GLUCOCORTICOID RECEPTOR ORIC PHARMACEUTICALS, INC. (US) 2017-06-29 — — WO disclosed
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