SCHEMBL7945795

SCHEMBL7945795

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 11/20 0.43
HIF1A Q16665 6/20 0.43
LMNA P02545 6/20 0.43
SERPINA6 P08185 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C19 P33261 3/20 0.43
BLM P54132 2/20 0.43
PMP22 Q01453 2/20 0.43
TSHR P16473 2/20 0.43
SHBG P04278 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NR3C1 P04150 4/20 0.42
PGR P06401 3/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC29A1 Q99808 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
AR P10275 2/20 0.40
ABCB11 O95342 1/20 0.40

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
SCHEMBL4556901 0.88 HSD17B10 (0.45) HSD17B10HIF1ALMNASERPINA6CYP3A4
SCHEMBL3640143 0.87 NR3C1 (0.55) HSD17B10HIF1ALMNASERPINA6CYP3A4
SCHEMBL2875968 0.87 NR3C1 (0.55) HSD17B10HIF1ALMNASERPINA6CYP3A4
SCHEMBL4557524 0.87 SERPINA6 (0.52) HSD17B10HIF1ALMNASERPINA6CYP3A4
SCHEMBL4557526 0.87 SERPINA6 (0.52) HSD17B10HIF1ALMNASERPINA6CYP3A4
SCHEMBL3720190 0.87 SERPINA6 (0.52) HSD17B10HIF1ALMNASERPINA6CYP3A4
SCHEMBL30600014 0.87 SERPINA6 (0.52) HSD17B10HIF1ALMNASERPINA6CYP3A4
SCHEMBL5459012 0.81 HSD17B10 (0.64) HSD17B10HIF1ALMNASERPINA6CYP3A4
SCHEMBL3726244 0.81 HSD17B10 (0.64) HSD17B10HIF1ALMNASERPINA6CYP3A4
SCHEMBL5982782 0.77 HSD17B10 (0.46) HSD17B10HIF1ALMNASERPINA6CYP3A4

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
WO-2001003702-A1 PHARMACEUTICAL FORMULATIONS COMPRISING A GLUCOCORTICOSTEROID AND AN ANTIFUNGAL AZOLE, FOR INCREASING THE LOCAL MUCOSAL TISSUE CONCENTRATION OF GLUCOCORTICOSTEROIDS IN THE GI TRACT ASTRAZENECA AB (SE) 2001-01-18 WO disclosed