SCHEMBL28612258

SCHEMBL28612258

C[C@@]12C(=CC(=O)C=C1CC(=O)O)CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 10/20 0.67
▸ HSD17B10 Q99714 8/20 0.67
▸ NR3C1 P04150 8/20 0.67
▸ PGR P06401 6/20 0.67
▸ CYP3A4 P08684 4/20 0.67
▸ CYP2C19 P33261 3/20 0.67
▸ SERPINA6 P08185 3/20 0.67
▸ NR3C2 P08235 2/20 0.67
▸ ABCB11 O95342 2/20 0.67
▸ AR P10275 2/20 0.67
▸ TNF P01375 1/20 0.67
▸ IL6 P05231 1/20 0.67
▸ GLUL P15104 1/20 0.67
▸ ADAM17 P78536 1/20 0.67
▸ GPBAR1 Q8TDU6 1/20 0.67
▸ KMT2A Q03164 3/20 0.63
▸ SMN1; SMN2 Q16637 2/20 0.63
▸ SHBG P04278 1/20 0.63
▸ MAPT P10636 1/20 0.63
▸ NFKB1 P19838 1/20 0.63

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
SCHEMBL22163756 0.93 HIF1A (0.67) HIF1AHSD17B10NR3C1PGRCYP3A4
SCHEMBL27597463 0.93 HIF1A (0.67) HIF1AHSD17B10NR3C1PGRCYP3A4
SCHEMBL1938519 0.91 HIF1A (0.69) HIF1AHSD17B10NR3C1PGRCYP3A4
SCHEMBL5668344 0.91 HIF1A (0.69) HIF1AHSD17B10NR3C1PGRCYP3A4
SCHEMBL31723329 0.91 HIF1A (0.69) HIF1AHSD17B10NR3C1PGRCYP3A4
SCHEMBL8428386 0.91 HIF1A (0.64) HIF1AHSD17B10NR3C1PGRCYP3A4
SCHEMBL1885049 0.90 HIF1A (0.68) HIF1AHSD17B10NR3C1PGRCYP3A4
SCHEMBL27834600 0.90 HIF1A (0.63) HIF1AHSD17B10NR3C1PGRCYP3A4
Succinic Acid SCHEMBL7600416 0.89 HIF1A (0.66) HIF1AHSD17B10NR3C1PGRCYP3A4
SCHEMBL20500052 0.88 HIF1A (0.61) HIF1AHSD17B10NR3C1PGRCYP3A4

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
CN-106692179-B Pharmaceutical preparation containing low molecular weight xanthan gum for articular cavity injection and preparation method thereof 山东省药学科学院 2021-07-09 — — CN disclosed
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