SCHEMBL11520052

SCHEMBL11520052

CCCCC(=O)O[C@@]1(C(=O)COC(=O)CC)[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 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 8/20 0.90
▸ PGR P06401 5/20 0.90
▸ NR1I2 O75469 2/20 0.90
▸ MAPT P10636 2/20 0.90
▸ ADORA3 P0DMS8 2/20 0.90
▸ DRD2 P14416 1/20 0.90
▸ OPRD1 P41143 1/20 0.90
▸ CYP3A4 P08684 5/20 0.83
▸ USP2 O75604 5/20 0.83
▸ MEN1 O00255 1/20 0.83
▸ KMT2A Q03164 1/20 0.83
▸ LMNA P02545 3/20 0.76
▸ CYP2C9 P11712 2/20 0.76
▸ MLNR O43193 1/20 0.76
▸ ABCB11 O95342 1/20 0.76
▸ CYP3A5 P20815 1/20 0.76
▸ PPARG P37231 1/20 0.76
▸ SMN1; SMN2 Q16637 1/20 0.76
▸ NPSR1 Q6W5P4 1/20 0.76
▸ CYP2D6 P10635 1/20 0.76

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
SCHEMBL4888415 0.97 NR3C1 (0.86) NR3C1PGRNR1I2MAPTADORA3
Betamethasone Dipropionate SCHEMBL28188104 0.96 NR3C1 (0.88) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL14867458 0.96 NR3C1 (0.84) NR3C1PGRNR1I2MAPTADORA3
Betamethasone Butyrate Propionate SCHEMBL120208 0.96 NR3C1 (0.91) NR3C1PGRNR1I2MAPTADORA3
Betamethasone Butyrate Propionate SCHEMBL14339599 0.96 NR3C1 (0.91) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL10866655 0.96 NR3C1 (0.83) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL10866660 0.96 NR3C1 (0.83) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL10866663 0.96 NR3C1 (0.83) NR3C1PGRNR1I2MAPTADORA3
SCHEMBL9802343 0.95 NR3C1 (0.86) NR3C1PGRNR1I2MAPTADORA3
Betamethasone Dipropionate SCHEMBL9186278 0.95 NR3C1 (0.89) 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-4172075-A Fluoro-steroids and processes for their manufacture CIBA-GEIGY CORPORATION (US) 1979-10-23 — — US disclosed
Send feedback