SCHEMBL23131064

SCHEMBL23131064

CCN(CC)c1ccc(C2CC3(C)C(CC[C@@H]3O)C3CCC4=CC5(CCC4C23)SCCS5)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 4/20 0.43
▸ NR3C1 P04150 3/20 0.43
▸ AR P10275 3/20 0.43
▸ ESR1 P03372 7/20 0.36
▸ PDK1 Q15118 2/20 0.36
▸ PDK2 Q15119 2/20 0.36
▸ PDK3 Q15120 2/20 0.36
▸ PDK4 Q16654 2/20 0.36
▸ ESR2 Q92731 4/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ SLC22A1 O15245 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL20048083 1.00 PGR (0.43) PGRNR3C1ARESR1PDK1
SCHEMBL20048080 1.00 PGR (0.43) PGRNR3C1ARESR1PDK1
SCHEMBL9019762 0.90 PGR (0.41) PGRNR3C1ARESR1PDK1
SCHEMBL22861582 0.90 PGR (0.41) PGRNR3C1ARESR1PDK1
SCHEMBL8539498 0.89 PDK1 (0.37) PGRNR3C1ARESR1PDK1
SCHEMBL21470230 0.87 PGR (0.44) PGRNR3C1ARESR1PDK1
SCHEMBL21143415 0.87 ESR1 (0.37) PGRNR3C1ARESR1PDK1
SCHEMBL20048225 0.87 ESR1 (0.37) PGRNR3C1ARESR1PDK1
SCHEMBL20048226 0.87 ESR1 (0.37) PGRNR3C1ARESR1PDK1
SCHEMBL9019868 0.86 PDK1 (0.36) PGRNR3C1ARESR1PDK1

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-3523315-B1 INHIBITOR OF GLUCOCORTICOID RECEPTOR ORIC PHARMACEUTICALS INC (US) 2021-03-24 — — EP disclosed
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