SCHEMBL10352704

SCHEMBL10352704

CCCC1OC2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 7/20 0.74
▸ AR P10275 4/20 0.74
▸ PGR P06401 4/20 0.74
▸ CYP3A4 P08684 3/20 0.74
▸ USP2 O75604 1/20 0.74
▸ HSD17B10 Q99714 2/20 0.51
▸ LMNA P02545 1/20 0.50
▸ HRH1 P35367 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ ABCC3 O15438 1/20 0.47
▸ ABCC4 O15439 1/20 0.47
▸ ABCB11 O95342 1/20 0.47
▸ IL5 P05113 1/20 0.47
▸ NR3C2 P08235 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL10543449 1.00 NR3C1 (0.74) NR3C1ARPGRCYP3A4USP2
SCHEMBL10352327 1.00 NR3C1 (0.74) NR3C1ARPGRCYP3A4USP2
SCHEMBL8500255 0.93 CYP3A4 (0.63) NR3C1ARPGRCYP3A4USP2
SCHEMBL9114073 0.92 NR3C1 (0.64) NR3C1ARPGRCYP3A4USP2
SCHEMBL8501453 0.86 NR3C1 (0.55) NR3C1ARPGRCYP3A4USP2
Halcinonide SCHEMBL24015431 0.85 NR3C1 (1.00) NR3C1ARPGRCYP3A4USP2
Halcinonide SCHEMBL5489567 0.85 NR3C1 (1.00) NR3C1ARPGRCYP3A4USP2
Halcinonide SCHEMBL8467031 0.85 NR3C1 (1.00) NR3C1ARPGRCYP3A4USP2
Halcinonide SCHEMBL7861670 0.85 NR3C1 (1.00) NR3C1ARPGRCYP3A4USP2
Halcinonide SCHEMBL5188866 0.85 NR3C1 (1.00) NR3C1ARPGRCYP3A4USP2

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
EP-0164636-B1 A PROCESS FOR THE PREPARATION OF 16,17 ACETALS OF PREGNANE DERIVATIVES AND COMPOUNDS OBTAINED THEREFROM SICOR Società Italiana Corticosteroidi S.p.A. (IT) 1990-09-19 — — EP claimed
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