SCHEMBL27385901

SCHEMBL27385901

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)c1cccc(N)c1)C(=O)CCl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 9/20 0.72
▸ CYP3A4 P08684 6/20 0.72
▸ PGR P06401 5/20 0.72
▸ LMNA P02545 3/20 0.72
▸ USP2 O75604 3/20 0.72
▸ ABCB11 O95342 2/20 0.72
▸ CYP2D6 P10635 2/20 0.72
▸ CYP2C9 P11712 2/20 0.72
▸ NR1I2 O75469 2/20 0.72
▸ MAPT P10636 2/20 0.72
▸ MLNR O43193 1/20 0.72
▸ CYP3A5 P20815 1/20 0.72
▸ PPARG P37231 1/20 0.72
▸ SMN1; SMN2 Q16637 1/20 0.72
▸ NPSR1 Q6W5P4 1/20 0.72
▸ ADORA3 P0DMS8 2/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP2C19 P33261 1/20 0.61
▸ AR P10275 1/20 0.61
▸ PTGS1 P23219 1/20 0.61

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
SCHEMBL11582821 0.91 NR3C1 (0.80) NR3C1CYP3A4PGRLMNAUSP2
SCHEMBL11582817 0.91 NR3C1 (0.80) NR3C1CYP3A4PGRLMNAUSP2
SCHEMBL11849050 0.91 NR3C1 (0.80) NR3C1CYP3A4PGRLMNAUSP2
SCHEMBL32672362 0.90 NR3C1 (0.69) NR3C1CYP3A4PGRLMNAUSP2
SCHEMBL11580982 0.86 NR3C1 (0.86) NR3C1CYP3A4PGRLMNAUSP2
SCHEMBL564964 0.86 NR3C1 (0.86) NR3C1CYP3A4PGRLMNAUSP2
SCHEMBL11582111 0.86 NR3C1 (0.86) NR3C1CYP3A4PGRLMNAUSP2
SCHEMBL11037205 0.85 NR3C1 (0.83) NR3C1CYP3A4PGRLMNAUSP2
Betamethasone Benzoate SCHEMBL49469 0.85 NR3C1 (0.77) NR3C1CYP3A4PGRUSP2MMP1
Betamethasone Benzoate SCHEMBL11878006 0.85 NR3C1 (0.77) NR3C1CYP3A4PGRUSP2MMP1

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
WO-2024059237-A2 NOVEL GLUCOCORTICOID RECEPTOR AGONISTS AND IMMUNOCONJUGATES THEREOF ADCENTRX THERAPEUTICS INC. (US) 2024-03-21 — — WO disclosed
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