SCHEMBL10797802

SCHEMBL10797802

CCCC(=O)O[C@]1(C(=O)COC(C)=O)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 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 7/20 0.81
▸ PGR P06401 5/20 0.81
▸ NR1I2 O75469 2/20 0.81
▸ MAPT P10636 2/20 0.81
▸ ADORA3 P0DMS8 2/20 0.81
▸ DRD2 P14416 1/20 0.81
▸ OPRD1 P41143 1/20 0.81
▸ CYP3A4 P08684 6/20 0.77
▸ USP2 O75604 5/20 0.77
▸ MEN1 O00255 1/20 0.77
▸ KMT2A Q03164 1/20 0.77
▸ LMNA P02545 3/20 0.73
▸ HIF1A Q16665 3/20 0.73
▸ CYP2C9 P11712 2/20 0.73
▸ SMN1; SMN2 Q16637 2/20 0.73
▸ CNR1 P21554 2/20 0.73
▸ TBXA2R P21731 2/20 0.73
▸ MLNR O43193 1/20 0.72
▸ ABCB11 O95342 1/20 0.72
▸ CYP3A5 P20815 1/20 0.72

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
SCHEMBL10797800 1.00 NR3C1 (0.81) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL10797796 1.00 NR3C1 (0.81) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL3021332 0.96 NR3C1 (0.83) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL29438083 0.96 NR3C1 (0.83) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL9157442 0.95 NR3C1 (0.85) NR3C1PGRNR1I2MAPTADORA3
Betamethasone Butyrate Propionate SCHEMBL120208 0.94 NR3C1 (0.91) NR3C1PGRNR1I2MAPTADORA3
Betamethasone Butyrate Propionate SCHEMBL14339599 0.94 NR3C1 (0.91) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL25370010 0.94 NR3C1 (0.91) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL30491082 0.94 NR3C1 (0.91) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL8077638 0.94 NR3C1 (0.91) NR3C1PGRNR1I2MAPTADORA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4655971-A USING AN ANHYDRIDE AND ACID CATALYST TO ESTERIFY HYDROXY'S IN THE 17- OR 17- AND 21-POSITION; ENHANCED ANTIINFLAMMATORY AGENTS PLURICHEMIE ANSTALT (LI) 1987-04-07 — — US claimed
US-4655971-A USING AN ANHYDRIDE AND ACID CATALYST TO ESTERIFY HYDROXY'S IN THE 17- OR 17- AND 21-POSITION; ENHANCED ANTIINFLAMMATORY AGENTS PLURICHEMIE ANSTALT (LI) 1987-04-07 — — US disclosed
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