SCHEMBL9160605

SCHEMBL9160605

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)C1CC1)C(=O)COC(=O)C1CC1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 10/20 0.83
▸ PGR P06401 5/20 0.83
▸ NR1I2 O75469 2/20 0.83
▸ MAPT P10636 2/20 0.83
▸ ADORA3 P0DMS8 2/20 0.83
▸ DRD2 P14416 1/20 0.83
▸ OPRD1 P41143 1/20 0.83
▸ CYP3A4 P08684 6/20 0.71
▸ USP2 O75604 5/20 0.71
▸ LMNA P02545 3/20 0.71
▸ SMN1; SMN2 Q16637 2/20 0.71
▸ CYP2C9 P11712 2/20 0.71
▸ MLNR O43193 1/20 0.71
▸ ABCB11 O95342 1/20 0.71
▸ CYP3A5 P20815 1/20 0.71
▸ PPARG P37231 1/20 0.71
▸ NPSR1 Q6W5P4 1/20 0.71
▸ CYP2D6 P10635 1/20 0.71
▸ MMP1 P03956 5/20 0.68
▸ HIF1A Q16665 3/20 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
SCHEMBL4625624 0.97 NR3C1 (0.78) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL4625625 0.97 NR3C1 (0.78) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL4625619 0.97 NR3C1 (0.78) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL11431304 0.94 NR3C1 (0.78) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL11436665 0.93 NR3C1 (0.80) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL4624240 0.92 NR3C1 (0.80) NR3C1PGRNR1I2MAPTCYP3A4
SCHEMBL4624243 0.92 NR3C1 (0.80) NR3C1PGRNR1I2MAPTCYP3A4
SCHEMBL4624245 0.92 NR3C1 (0.80) NR3C1PGRNR1I2MAPTCYP3A4
SCHEMBL11438081 0.92 NR3C1 (0.77) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL9159212 0.91 NR3C1 (0.85) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0393658-B1 Novel steroid derivatives SS PHARMACEUTICAL CO (JP) 1995-03-22 — — EP disclosed
US-5063222-A Antiinflammatory, rheumatism SS PHARMACEUTICAL CO., LTD. (JP) 1991-11-05 — — US disclosed
EP-0393658-A2 Novel steroid derivatives SS PHARMACEUTICAL CO., LTD. (JP) 1990-10-24 — — EP disclosed
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