SCHEMBL11433286

SCHEMBL11433286

CCCOC(=O)O[C@]1(C(=O)COC(C)=O)[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 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 10/20 0.75
▸ PGR P06401 5/20 0.75
▸ NR1I2 O75469 2/20 0.75
▸ MAPT P10636 2/20 0.75
▸ ADORA3 P0DMS8 1/20 0.75
▸ DRD2 P14416 1/20 0.75
▸ OPRD1 P41143 1/20 0.75
▸ CYP3A4 P08684 7/20 0.72
▸ HIF1A Q16665 5/20 0.72
▸ LMNA P02545 4/20 0.72
▸ SMN1; SMN2 Q16637 3/20 0.72
▸ CYP2C9 P11712 2/20 0.72
▸ CNR1 P21554 1/20 0.72
▸ TBXA2R P21731 1/20 0.72
▸ USP2 O75604 3/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ MLNR O43193 1/20 0.67
▸ ABCB11 O95342 1/20 0.67
▸ CYP3A5 P20815 1/20 0.67

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
SCHEMBL11431187 0.96 NR3C1 (0.73) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL11438466 0.95 NR3C1 (0.77) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL11421450 0.95 NR3C1 (0.72) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL11425709 0.94 NR3C1 (0.77) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL11437232 0.93 NR3C1 (0.74) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL11422193 0.93 NR3C1 (0.74) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL11286326 0.93 NR3C1 (0.74) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL11431409 0.93 NR3C1 (0.86) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL11438081 0.93 NR3C1 (0.77) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL11425875 0.93 NR3C1 (0.77) 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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