SCHEMBL7205322

SCHEMBL7205322

CCCCCOC(=O)O[C@]1(C(=O)O)[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 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 13/20 0.69
▸ PGR P06401 4/20 0.69
▸ CYP3A4 P08684 4/20 0.69
▸ USP2 O75604 3/20 0.69
▸ MEN1 O00255 1/20 0.69
▸ KMT2A Q03164 1/20 0.69
▸ MMP1 P03956 9/20 0.67
▸ 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
▸ 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

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
SCHEMBL7210541 0.95 NR3C1 (0.68) NR3C1PGRCYP3A4USP2MEN1
SCHEMBL7205280 0.95 NR3C1 (0.68) NR3C1PGRCYP3A4USP2MEN1
SCHEMBL11156674 0.93 NR3C1 (0.81) NR3C1PGRCYP3A4USP2MEN1
SCHEMBL4455578 0.92 NR3C1 (0.80) NR3C1PGRCYP3A4USP2MEN1
SCHEMBL11433058 0.92 NR3C1 (0.74) NR3C1PGRCYP3A4USP2MEN1
SCHEMBL9764432 0.91 NR3C1 (0.70) NR3C1PGRCYP3A4USP2MEN1
SCHEMBL7209240 0.91 NR3C1 (0.70) NR3C1PGRCYP3A4USP2MEN1
SCHEMBL7210819 0.91 NR3C1 (0.70) NR3C1PGRCYP3A4USP2MEN1
SCHEMBL7203414 0.91 NR3C1 (0.65) NR3C1PGRCYP3A4USP2MEN1
SCHEMBL11424740 0.91 NR3C1 (0.73) NR3C1PGRCYP3A4USP2MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610675-B1 Identifying nontoxic therapeutically inactive metabolite of drug which elicits particular therapeutic response, converting inactive metabolite into activated structurally related drug species which cleaves in vivo to inactive metabolite Bodor, Nicholas S. 2003-08-26 — — US disclosed
US-4996335-A Soft steroids having anti-inflammatory activity Bodor, Nicholas S. (US) 1991-02-26 — — US disclosed
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