SCHEMBL11229322

SCHEMBL11229322

CC(C)C(=O)O[C@]1(C(O)=S)[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 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 13/20 0.66
▸ MMP1 P03956 8/20 0.66
▸ PGR P06401 4/20 0.65
▸ NR1I2 O75469 2/20 0.65
▸ MAPT P10636 2/20 0.65
▸ ADORA3 P0DMS8 1/20 0.65
▸ DRD2 P14416 1/20 0.65
▸ OPRD1 P41143 1/20 0.65
▸ CYP3A4 P08684 4/20 0.64
▸ USP2 O75604 3/20 0.64
▸ LMNA P02545 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
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.64
▸ CYP2D6 P10635 1/20 0.64
▸ CYP2C9 P11712 1/20 0.64
▸ MEN1 O00255 1/20 0.62

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
SCHEMBL11228768 0.92 NR3C1 (0.69) NR3C1MMP1PGRNR1I2MAPT
SCHEMBL11229296 0.91 NR3C1 (0.67) NR3C1MMP1PGRNR1I2MAPT
SCHEMBL11882871 0.89 NR3C1 (0.81) NR3C1MMP1PGRCYP3A4USP2
SCHEMBL10792533 0.89 NR3C1 (0.81) NR3C1MMP1PGRCYP3A4USP2
SCHEMBL11882866 0.89 NR3C1 (0.81) NR3C1MMP1PGRCYP3A4USP2
SCHEMBL11581521 0.89 NR3C1 (0.81) NR3C1MMP1PGRNR1I2MAPT
SCHEMBL11581526 0.89 NR3C1 (0.81) NR3C1MMP1PGRNR1I2MAPT
SCHEMBL4218692 0.89 NR3C1 (0.81) NR3C1MMP1PGRNR1I2MAPT
SCHEMBL4215018 0.89 NR3C1 (0.81) NR3C1MMP1PGRNR1I2MAPT
Betamethasone Acibutate SCHEMBL10792711 0.87 NR3C1 (0.75) NR3C1MMP1PGRNR1I2MAPT

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-4335121-A TOPICAL ANTIINFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 1982-06-15 — — US disclosed
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