SCHEMBL7735918

SCHEMBL7735918

CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)COC(C)=O)O1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.64
▸ PKM P14618 1/20 0.64
▸ PPARG P37231 1/20 0.64
▸ HTT P42858 1/20 0.64
▸ NCOA2 Q15596 1/20 0.64
▸ NCOA1 Q15788 1/20 0.64
▸ NCOA3 Q9Y6Q9 1/20 0.64
▸ HIF1A Q16665 10/20 0.62
▸ PGR P06401 4/20 0.62
▸ AR P10275 3/20 0.62
▸ CHRM1 P11229 3/20 0.62
▸ LMNA P02545 2/20 0.62
▸ SERPINA6 P08185 1/20 0.62
▸ CYP3A4 P08684 4/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ NR3C1 P04150 3/20 0.60
▸ NR3C2 P08235 2/20 0.60
▸ NFKB1 P19838 2/20 0.60
▸ HSD17B10 Q99714 2/20 0.60
▸ PMP22 Q01453 2/20 0.60

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
SCHEMBL7741842 0.96 HIF1A (0.60) ALDH1A1PKMPPARGHTTNCOA2
SCHEMBL2016044 0.90 NR3C1 (0.73) HIF1APGRARCHRM1LMNA
SCHEMBL2020336 0.89 HIF1A (0.62) ALDH1A1PKMPPARGHTTNCOA2
SCHEMBL2017765 0.89 NR3C1 (0.57) ALDH1A1PKMPPARGHTTNCOA2
SCHEMBL8500154 0.87 CYP3A4 (0.60) ALDH1A1PKMPPARGHTTNCOA2
SCHEMBL9199016 0.87 HIF1A (0.55) ALDH1A1PKMPPARGHTTNCOA2
SCHEMBL7735905 0.86 HIF1A (0.66) HIF1APGRARCHRM1LMNA
SCHEMBL7751385 0.85 ALDH1A1 (0.84) ALDH1A1PKMPPARGHTTNCOA2
SCHEMBL7735898 0.85 ALDH1A1 (0.84) ALDH1A1PKMPPARGHTTNCOA2
SCHEMBL17151413 0.85 ALDH1A1 (0.84) ALDH1A1PKMPPARGHTTNCOA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6423340-B1 GASTROINTESTINAL DISORDERS, CROHN'S COLITIS AKTIEBOLAGET DRACO (SE) 2002-07-23 — — US disclosed
US-5643602-A TIME RELEASE PELLETS FOR INTESTINES ASTRA AKTIEBOLAG (SE) 1997-07-01 — — US disclosed
US-4695625-A Process for the preparation of 16,17 acetals of pregnane derivatives SICOR SOCIETA ITALIANA CORTICOSTEROIDI S.P.A. (IT) 1987-09-22 — — US disclosed
EP-0164636-A2 A process for the preparation of 16,17 acetals of pregnane derivatives and compounds obtained therefrom SICOR Società Italiana Corticosteroidi S.p.A. (IT) 1985-12-18 — — EP disclosed
EP-0054010-B1 4-PREGNENE-DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND COMPOSITION FOR THE TREATMENT OF INFLAMMATORY CONDITIONS Aktiebolaget Draco (SE) 1985-02-20 — — EP disclosed
US-4404200-A 16, 17-ACETALS OF 16-ALPHA-HYDROXYCORTISOL AKTIEBOLAGET DRACO (SE) 1983-09-13 — — US disclosed
EP-0054010-A1 4-Pregnene-derivatives, a process for their preparation and composition for the treatment of inflammatory conditions Aktiebolaget Draco (SE) 1982-06-16 — — EP disclosed
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