SCHEMBL29089932

SCHEMBL29089932

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC(OC(=O)C=CC(=O)OC5CC(=O)C=C6CC[C@@H]7[C@H]([C@@H](O)C[C@@]8(C)[C@H]7CC[C@]8(O)C(=O)CO)[C@]65C)[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 14/20 0.64
▸ HSD17B10 Q99714 7/20 0.64
▸ CYP3A4 P08684 6/20 0.64
▸ PGR P06401 5/20 0.64
▸ CYP2C19 P33261 4/20 0.64
▸ NR3C1 P04150 4/20 0.64
▸ SERPINA6 P08185 4/20 0.64
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ NR3C2 P08235 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ SHBG P04278 2/20 0.64
▸ NFKB1 P19838 2/20 0.64
▸ MAPT P10636 1/20 0.64
▸ AR P10275 2/20 0.59
▸ ABCB11 O95342 2/20 0.59
▸ TNF P01375 1/20 0.59
▸ IL6 P05231 1/20 0.59
▸ GLUL P15104 1/20 0.59
▸ ADAM17 P78536 1/20 0.59
▸ GPBAR1 Q8TDU6 1/20 0.59

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
SCHEMBL4426288 0.94 HIF1A (0.62) HIF1AHSD17B10CYP3A4PGRCYP2C19
SCHEMBL3999013 0.92 HIF1A (0.67) HIF1AHSD17B10CYP3A4PGRCYP2C19
SCHEMBL138847 0.92 HIF1A (0.66) HIF1AHSD17B10CYP3A4PGRCYP2C19
SCHEMBL28809123 0.92 HIF1A (0.66) HIF1AHSD17B10CYP3A4PGRCYP2C19
SCHEMBL20553193 0.91 HIF1A (0.65) HIF1AHSD17B10CYP3A4PGRCYP2C19
SCHEMBL6001323 0.91 HIF1A (0.65) HIF1AHSD17B10CYP3A4PGRCYP2C19
SCHEMBL28715728 0.91 HIF1A (0.69) HIF1AHSD17B10CYP3A4PGRCYP2C19
SCHEMBL14931695 0.90 HIF1A (0.64) HIF1AHSD17B10CYP3A4PGRCYP2C19
SCHEMBL249836 0.90 HIF1A (0.64) HIF1AHSD17B10CYP3A4PGRCYP2C19
SCHEMBL28553943 0.90 HIF1A (0.64) HIF1AHSD17B10CYP3A4PGRCYP2C19

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-116916764-A Fasted mimicking diet promotes cancer-free survival of acute lymphoblastic leukemia models 南加利福尼亚大学 2023-10-20 — — CN disclosed
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