SCHEMBL9199016

SCHEMBL9199016

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)C(O)OC(C)=O)O1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 8/20 0.55
▸ PGR P06401 5/20 0.55
▸ CYP3A4 P08684 4/20 0.55
▸ NR3C1 P04150 4/20 0.55
▸ NR3C2 P08235 4/20 0.55
▸ LMNA P02545 3/20 0.55
▸ AR P10275 3/20 0.55
▸ CHRM1 P11229 3/20 0.55
▸ HSD17B10 Q99714 3/20 0.55
▸ NFKB1 P19838 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ ABCC3 O15438 1/20 0.55
▸ ABCC4 O15439 1/20 0.55
▸ ABCB11 O95342 1/20 0.55
▸ IL5 P05113 1/20 0.55
▸ MMP9 P14780 1/20 0.55
▸ THPO P40225 1/20 0.55
▸ BLM P54132 1/20 0.55
▸ PMP22 Q01453 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL7743570 0.96 HIF1A (0.50) HIF1APGRCYP3A4NR3C1NR3C2
SCHEMBL2020336 0.88 HIF1A (0.62) HIF1APGRCYP3A4NR3C1NR3C2
SCHEMBL7735918 0.87 ALDH1A1 (0.64) HIF1APGRCYP3A4NR3C1NR3C2
SCHEMBL2016044 0.86 NR3C1 (0.73) HIF1APGRCYP3A4NR3C1NR3C2
SCHEMBL7741842 0.83 HIF1A (0.60) HIF1APGRCYP3A4NR3C1NR3C2
SCHEMBL2017765 0.82 NR3C1 (0.57) HIF1APGRCYP3A4NR3C1NR3C2
SCHEMBL7735905 0.81 HIF1A (0.66) HIF1APGRCYP3A4NR3C1NR3C2
SCHEMBL28106323 0.77 CYP17A1 (0.72) HIF1APGRCYP3A4NR3C1NR3C2
SCHEMBL27780950 0.77 CYP17A1 (0.72) HIF1APGRCYP3A4NR3C1NR3C2
SCHEMBL7519660 0.77 HIF1A (0.75) HIF1APGRCYP3A4NR3C1NR3C2

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-0502092-B1 ORAL COMPOSITION FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASES DRACO AB (SE) 1995-07-26 — — EP claimed
EP-0502092-B1 ORAL COMPOSITION FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASES DRACO AB (SE) 1995-07-26 — — EP disclosed
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