SCHEMBL11870530

SCHEMBL11870530

Cc1ccc(S(=O)(=O)OCC(=O)[C@@]23OC(C)(C)O[C@@H]2C[C@H]2[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]23C)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 9/20 0.55
▸ CYP3A4 P08684 5/20 0.55
▸ PGR P06401 5/20 0.55
▸ AR P10275 4/20 0.55
▸ USP2 O75604 1/20 0.55
▸ HIF1A Q16665 6/20 0.54
▸ LMNA P02545 5/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ MAPT P10636 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ ABCB11 O95342 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ NR1I2 O75469 1/20 0.43

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
SCHEMBL8204332 0.91 NR3C1 (0.59) NR3C1CYP3A4PGRARUSP2
SCHEMBL11862265 0.88 NR3C1 (0.71) NR3C1CYP3A4PGRARUSP2
SCHEMBL11872545 0.88 CYP3A4 (0.46) NR3C1CYP3A4PGRARUSP2
SCHEMBL4734156 0.86 NR3C1 (0.72) NR3C1CYP3A4PGRARUSP2
SCHEMBL11875317 0.85 NR3C1 (0.74) NR3C1CYP3A4PGRARHIF1A
SCHEMBL4734726 0.85 NR3C1 (0.70) NR3C1CYP3A4PGRARUSP2
SCHEMBL7080634 0.84 NR3C1 (0.62) NR3C1CYP3A4PGRARUSP2
SCHEMBL11864447 0.82 CYP3A4 (0.73) NR3C1CYP3A4PGRARUSP2
SCHEMBL11869442 0.81 NR3C1 (0.59) NR3C1CYP3A4PGRARUSP2
SCHEMBL8502672 0.81 NR3C1 (0.57) NR3C1CYP3A4PGRARUSP2

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-3975378-A ANTIINFLAMMATORY SYNTEX (U.S.A.) INC. (US) 1976-08-17 — — US disclosed
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