SCHEMBL11580982

SCHEMBL11580982

CC(=O)O[C@]1(C(=O)CCl)C(C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(O)C[C@@]21C

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 9/20 0.86
▸ CYP3A4 P08684 5/20 0.86
▸ PGR P06401 4/20 0.86
▸ USP2 O75604 3/20 0.86
▸ LMNA P02545 3/20 0.86
▸ NR1I2 O75469 2/20 0.86
▸ MAPT P10636 2/20 0.86
▸ CYP2C9 P11712 2/20 0.86
▸ MLNR O43193 1/20 0.86
▸ ABCB11 O95342 1/20 0.86
▸ CYP3A5 P20815 1/20 0.86
▸ PPARG P37231 1/20 0.86
▸ SMN1; SMN2 Q16637 1/20 0.86
▸ NPSR1 Q6W5P4 1/20 0.86
▸ CYP2D6 P10635 1/20 0.86
▸ MMP1 P03956 6/20 0.72
▸ ADORA3 P0DMS8 1/20 0.72
▸ DRD2 P14416 1/20 0.72
▸ OPRD1 P41143 1/20 0.72
▸ MEN1 O00255 1/20 0.71

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
SCHEMBL11582111 1.00 NR3C1 (0.86) NR3C1CYP3A4PGRUSP2LMNA
SCHEMBL564964 1.00 NR3C1 (0.86) NR3C1CYP3A4PGRUSP2LMNA
Clobetasol Propionate SCHEMBL11052078 0.93 PGR (1.00) NR3C1CYP3A4PGRUSP2LMNA
Clobetasol Propionate SCHEMBL10865006 0.93 PGR (1.00) NR3C1CYP3A4PGRUSP2LMNA
Clobetasol Propionate SCHEMBL5577908 0.93 PGR (1.00) NR3C1CYP3A4PGRUSP2LMNA
SCHEMBL9159208 0.93 NR3C1 (0.85) NR3C1CYP3A4PGRUSP2LMNA
Clobetasol Propionate SCHEMBL445257 0.93 PGR (1.00) NR3C1CYP3A4PGRUSP2LMNA
SCHEMBL10599326 0.93 NR3C1 (0.82) NR3C1CYP3A4PGRUSP2LMNA
Clobetasol Propionate SCHEMBL5577907 0.93 PGR (1.00) NR3C1CYP3A4PGRUSP2LMNA
Clobetasol Propionate SCHEMBL3997 0.93 PGR (1.00) NR3C1CYP3A4PGRUSP2LMNA

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
US-4113680-A Method for preparing 17 α-ester-21-halo pregnanes TAISHO PHARMACEUTICAL CO., LTD. (JP) 1978-09-12 — — US disclosed
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