SCHEMBL11428170

SCHEMBL11428170

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 11/20 0.72
▸ PGR P06401 4/20 0.72
▸ NR1I2 O75469 2/20 0.72
▸ MAPT P10636 2/20 0.72
▸ ADORA3 P0DMS8 1/20 0.72
▸ DRD2 P14416 1/20 0.72
▸ OPRD1 P41143 1/20 0.72
▸ CYP3A4 P08684 5/20 0.69
▸ USP2 O75604 3/20 0.69
▸ MEN1 O00255 1/20 0.69
▸ KMT2A Q03164 1/20 0.69
▸ MMP1 P03956 7/20 0.66
▸ LMNA P02545 3/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ CYP2C9 P11712 2/20 0.64
▸ MLNR O43193 1/20 0.64
▸ ABCB11 O95342 1/20 0.64
▸ CYP3A5 P20815 1/20 0.64
▸ PPARG P37231 1/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.64

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
SCHEMBL11421683 1.00 NR3C1 (0.72) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL11424903 0.98 NR3C1 (0.75) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL11424740 0.96 NR3C1 (0.73) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL11430152 0.96 NR3C1 (0.73) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL11437232 0.96 NR3C1 (0.74) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL11433058 0.96 NR3C1 (0.74) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL11422193 0.96 NR3C1 (0.74) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL11421095 0.95 NR3C1 (0.79) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL11435929 0.94 NR3C1 (0.72) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL11286563 0.94 NR3C1 (0.72) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4242334-A ANTIINFLAMMATORY AGENTS; SKIN DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1980-12-30 — — US disclosed
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