SCHEMBL11237004

SCHEMBL11237004

CCC(=O)O[C@]1(C(=O)SCF)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 9/20 0.75
▸ NR3C1 P04150 7/20 0.75
▸ PGR P06401 6/20 0.75
▸ USP2 O75604 5/20 0.75
▸ ADORA3 P0DMS8 4/20 0.75
▸ AR P10275 3/20 0.75
▸ HIF1A Q16665 3/20 0.75
▸ CHRM1 P11229 1/20 0.75
▸ CNR1 P21554 1/20 0.75
▸ TBXA2R P21731 1/20 0.75
▸ NR1I2 O75469 3/20 0.65
▸ NR3C2 P08235 1/20 0.65
▸ LMNA P02545 4/20 0.65
▸ ABCB11 O95342 4/20 0.65
▸ MAPT P10636 3/20 0.65
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ CYP2D6 P10635 2/20 0.65
▸ CYP2C9 P11712 2/20 0.65
▸ MLNR O43193 1/20 0.65
▸ CYP3A5 P20815 1/20 0.65

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
SCHEMBL11233362 0.93 CYP3A4 (0.76) CYP3A4NR3C1PGRUSP2ADORA3
SCHEMBL10529305 0.90 CYP3A4 (0.82) CYP3A4NR3C1PGRUSP2ADORA3
SCHEMBL11232753 0.90 NR3C1 (0.78) CYP3A4NR3C1PGRUSP2ADORA3
SCHEMBL11223602 0.90 NR3C1 (0.78) CYP3A4NR3C1PGRUSP2ADORA3
SCHEMBL11226773 0.88 CYP3A4 (0.81) CYP3A4NR3C1PGRUSP2ADORA3
Beclomethasone 17-Monopropionate SCHEMBL24581289 0.87 CYP3A4 (0.85) CYP3A4NR3C1PGRUSP2ADORA3
Beclomethasone 17-Monopropionate SCHEMBL10354253 0.87 CYP3A4 (0.85) CYP3A4NR3C1PGRUSP2ADORA3
SCHEMBL11226775 0.87 CYP3A4 (0.80) CYP3A4NR3C1PGRUSP2ADORA3
SCHEMBL11047296 0.87 CYP3A4 (0.85) CYP3A4NR3C1PGRUSP2ADORA3
SCHEMBL11047292 0.87 CYP3A4 (0.85) CYP3A4NR3C1PGRUSP2ADORA3

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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