SCHEMBL9336439

SCHEMBL9336439

CC(C)OC(=O)O[C@]1(C(=O)COS(=O)(=O)c2ccc(Cl)cc2)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(O)C[C@@]21C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 13/20 0.60
▸ PGR P06401 6/20 0.60
▸ HIF1A Q16665 5/20 0.60
▸ LMNA P02545 3/20 0.60
▸ CYP3A4 P08684 2/20 0.60
▸ USP2 O75604 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ CYP2C9 P11712 1/20 0.60
▸ NR1I2 O75469 3/20 0.56
▸ ABCB11 O95342 2/20 0.56
▸ ABCC3 O15438 1/20 0.56
▸ HSD17B10 Q99714 2/20 0.51
▸ TNF P01375 1/20 0.51
▸ IL6 P05231 1/20 0.51
▸ SERPINA6 P08185 1/20 0.51
▸ NR3C2 P08235 1/20 0.51
▸ AR P10275 1/20 0.51
▸ GLUL P15104 1/20 0.51
▸ ADAM17 P78536 1/20 0.51
▸ GPBAR1 Q8TDU6 1/20 0.51

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
SCHEMBL11429090 0.94 NR3C1 (0.63) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL9336692 0.92 NR3C1 (0.63) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL11163133 0.91 NR3C1 (0.73) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL11432975 0.90 NR3C1 (0.62) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL11159963 0.90 NR3C1 (0.66) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL11156311 0.89 NR3C1 (0.65) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL11424746 0.89 NR3C1 (0.61) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL11158096 0.88 NR3C1 (0.63) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL11569896 0.88 NR3C1 (0.63) NR3C1PGRHIF1ALMNACYP3A4
SCHEMBL11421709 0.88 NR3C1 (0.65) NR3C1PGRHIF1ALMNACYP3A4

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-5362721-A Corticoid-17-alkyl-carbonates substituted in the 17-position, process for their preparation and pharmaceuticals containing them HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-08 — — US disclosed
EP-0470617-A2 17-Substituted corticoid-17-alkylcarbonates, a process for their preparation and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-12 — — EP disclosed
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