SCHEMBL10354657

SCHEMBL10354657

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

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 9/20 0.80
▸ CYP3A4 P08684 7/20 0.80
▸ PGR P06401 5/20 0.80
▸ USP2 O75604 4/20 0.80
▸ MEN1 O00255 1/20 0.80
▸ KMT2A Q03164 1/20 0.80
▸ HIF1A Q16665 3/20 0.74
▸ ADORA3 P0DMS8 2/20 0.74
▸ AR P10275 2/20 0.74
▸ CHRM1 P11229 1/20 0.74
▸ CNR1 P21554 1/20 0.74
▸ TBXA2R P21731 1/20 0.74
▸ ABCB11 O95342 4/20 0.69
▸ LMNA P02545 3/20 0.69
▸ MAPT P10636 2/20 0.69
▸ SMN1; SMN2 Q16637 2/20 0.69
▸ NFKB1 P19838 1/20 0.69
▸ BLM P54132 1/20 0.69
▸ GAA P10253 1/20 0.69
▸ MMP1 P03956 4/20 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
SCHEMBL10354654 1.00 NR3C1 (0.80) NR3C1CYP3A4PGRUSP2MEN1
SCHEMBL1217307 1.00 NR3C1 (0.80) NR3C1CYP3A4PGRUSP2MEN1
SCHEMBL10354655 1.00 NR3C1 (0.80) NR3C1CYP3A4PGRUSP2MEN1
Water SCHEMBL1219474 0.99 NR3C1 (0.79) NR3C1CYP3A4PGRUSP2MEN1
SCHEMBL6860007 0.97 CYP3A4 (0.76) NR3C1CYP3A4PGRUSP2MEN1
Beclomethasone 17-Monopropionate SCHEMBL10354253 0.93 CYP3A4 (0.85) NR3C1CYP3A4PGRUSP2MEN1
Beclomethasone 17-Monopropionate SCHEMBL102219 0.93 CYP3A4 (0.85) NR3C1CYP3A4PGRUSP2MEN1
Beclomethasone 17-Monopropionate SCHEMBL10354251 0.93 CYP3A4 (0.85) NR3C1CYP3A4PGRUSP2MEN1
Beclomethasone 17-Monopropionate SCHEMBL10354250 0.93 CYP3A4 (0.85) NR3C1CYP3A4PGRUSP2MEN1
SCHEMBL10865185 0.92 CYP3A4 (0.84) NR3C1CYP3A4PGRUSP2MEN1

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
EP-0170500-B1 NOVEL 9 ALPHA-FLUORO- OR CHLORO-CORTICOSTEROID ESTERS AND A PROCESS FOR THEIR PREPARATION HOVIONE INTER LTD. (CH) 1990-10-10 — — EP claimed
EP-0170500-A2 Novel 9 alpha-fluoro- or chloro-corticosteroid esters and a process for their preparation HOVIONE INTER LTD. (CH) 1986-02-05 — — EP claimed
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