SCHEMBL11864138

SCHEMBL11864138

Cc1ccc(S(=O)(=O)OCC(=O)[C@@]23OC(C)(C)O[C@@H]2C[C@H]2[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]23C)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.72
▸ HIF1A Q16665 6/20 0.72
▸ CYP3A4 P08684 6/20 0.72
▸ NR3C1 P04150 5/20 0.72
▸ PGR P06401 5/20 0.72
▸ NR1I2 O75469 1/20 0.72
▸ NPSR1 Q6W5P4 2/20 0.66
▸ MAPT P10636 2/20 0.66
▸ USP2 O75604 2/20 0.66
▸ CNR1 P21554 1/20 0.66
▸ KCNH2 Q12809 1/20 0.66
▸ AR P10275 3/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ MAPK1 P28482 1/20 0.54

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
SCHEMBL8204639 0.91 LMNA (0.80) LMNAHIF1ACYP3A4NR3C1PGR
SCHEMBL11871915 0.90 HIF1A (0.58) LMNAHIF1ACYP3A4NR3C1PGR
SCHEMBL11054107 0.89 HIF1A (0.58) LMNAHIF1ACYP3A4NR3C1PGR
SCHEMBL11875317 0.88 NR3C1 (0.74) LMNAHIF1ACYP3A4NR3C1PGR
SCHEMBL13659970 0.87 HIF1A (0.71) LMNAHIF1ACYP3A4NR3C1PGR
SCHEMBL14114135 0.87 LMNA (0.83) LMNAHIF1ACYP3A4NR3C1PGR
SCHEMBL13524485 0.87 LMNA (0.83) LMNAHIF1ACYP3A4NR3C1PGR
SCHEMBL11862265 0.86 NR3C1 (0.71) LMNAHIF1ACYP3A4NR3C1PGR
SCHEMBL12087283 0.86 HIF1A (0.70) LMNAHIF1ACYP3A4NR3C1PGR
SCHEMBL15975096 0.85 HIF1A (0.87) LMNAHIF1ACYP3A4NR3C1PGR

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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