SCHEMBL28318620

SCHEMBL28318620

CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(C3CC(=O)C=C4CC[C@@H]5[C@H]([C@@H](O)C[C@@]6(C)[C@H]5CC[C@]6(O)C(=O)CO)[C@]43C)[C@@H](O)C[C@@]21C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 10/20 0.60
HSD17B10 Q99714 6/20 0.60
NR3C1 P04150 5/20 0.60
CYP2C19 P33261 5/20 0.60
SERPINA6 P08185 5/20 0.60
PGR P06401 4/20 0.60
CYP3A4 P08684 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
NR3C2 P08235 2/20 0.60
KMT2A Q03164 2/20 0.60
SHBG P04278 2/20 0.60
MAPT P10636 1/20 0.60
NFKB1 P19838 1/20 0.60
LMNA P02545 3/20 0.56
ALDH1A1 P00352 1/20 0.52
MAPK1 P28482 1/20 0.52
AR P10275 2/20 0.51
ABCB11 O95342 1/20 0.51
TNF P01375 1/20 0.51
IL6 P05231 1/20 0.51

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
SCHEMBL94105 0.97 HIF1A (0.63) HIF1AHSD17B10NR3C1CYP2C19SERPINA6
SCHEMBL8061818 0.94 HIF1A (0.59) HIF1AHSD17B10NR3C1CYP2C19SERPINA6
SCHEMBL6370137 0.94 HIF1A (0.59) HIF1AHSD17B10NR3C1CYP2C19SERPINA6
Butyric Acid SCHEMBL28142317 0.92 HIF1A (0.57) HIF1AHSD17B10NR3C1CYP2C19SERPINA6
SCHEMBL7766720 0.88 HIF1A (0.55) HIF1AHSD17B10NR3C1CYP2C19SERPINA6
SCHEMBL7973569 0.88 NR3C2 (0.63) HIF1AHSD17B10NR3C1CYP2C19SERPINA6
SCHEMBL24461 0.87 SERPINA6 (0.57) HIF1AHSD17B10NR3C1CYP2C19SERPINA6
SCHEMBL2981243 0.85 HSD17B10 (0.60) HIF1AHSD17B10NR3C1CYP2C19SERPINA6
SCHEMBL2330386 0.84 NR3C1 (0.59) HIF1AHSD17B10NR3C1CYP2C19SERPINA6
SCHEMBL10949810 0.83 NR3C1 (0.54) HIF1AHSD17B10NR3C1CYP2C19SERPINA6

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-110187043-A Method that is a kind of while detecting 13 kinds of steroid hormones in serum 中南民族大学 2019-08-30 CN disclosed