SCHEMBL28809123

SCHEMBL28809123

C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC(OC(=O)CO)[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 13/20 0.66
▸ HSD17B10 Q99714 6/20 0.66
▸ PGR P06401 5/20 0.66
▸ CYP2C19 P33261 4/20 0.66
▸ NR3C1 P04150 4/20 0.66
▸ SERPINA6 P08185 4/20 0.66
▸ CYP3A4 P08684 4/20 0.66
▸ NR3C2 P08235 4/20 0.66
▸ SMN1; SMN2 Q16637 4/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ NFKB1 P19838 2/20 0.66
▸ SHBG P04278 2/20 0.66
▸ MAPT P10636 2/20 0.66
▸ AR P10275 2/20 0.60
▸ ABCB11 O95342 1/20 0.60
▸ TNF P01375 1/20 0.60
▸ IL6 P05231 1/20 0.60
▸ GLUL P15104 1/20 0.60
▸ ADAM17 P78536 1/20 0.60
▸ GPBAR1 Q8TDU6 1/20 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
SCHEMBL6001323 0.96 HIF1A (0.65) HIF1AHSD17B10PGRCYP2C19NR3C1
SCHEMBL14931695 0.95 HIF1A (0.64) HIF1AHSD17B10PGRCYP2C19NR3C1
SCHEMBL249836 0.95 HIF1A (0.64) HIF1AHSD17B10PGRCYP2C19NR3C1
SCHEMBL180226 0.95 HIF1A (0.64) HIF1AHSD17B10PGRCYP2C19NR3C1
SCHEMBL1535104 0.94 HIF1A (0.63) HIF1AHSD17B10PGRCYP2C19NR3C1
SCHEMBL11238419 0.94 HIF1A (0.63) HIF1AHSD17B10PGRCYP2C19NR3C1
SCHEMBL27698464 0.94 HIF1A (0.63) HIF1AHSD17B10PGRCYP2C19NR3C1
SCHEMBL3999013 0.94 HIF1A (0.67) HIF1AHSD17B10PGRCYP2C19NR3C1
SCHEMBL2122693 0.93 HIF1A (0.62) HIF1AHSD17B10PGRCYP2C19NR3C1
SCHEMBL141828 0.93 HIF1A (0.62) HIF1AHSD17B10PGRCYP2C19NR3C1

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-103509075-A Method for preparing difluprednate UNIV CHINA PHARMA 2014-01-15 — — CN disclosed
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