SCHEMBL10062395

SCHEMBL10062395

C[C@@H]1CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.72
NR3C2 P08235 8/20 0.72
NR3C1 P04150 4/20 0.72
HSD17B10 Q99714 3/20 0.72
PGR P06401 3/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
SERPINA6 P08185 3/20 0.72
CYP2C19 P33261 2/20 0.72
SHBG P04278 2/20 0.72
CYP3A4 P08684 2/20 0.72
MAPT P10636 2/20 0.72
NFKB1 P19838 2/20 0.72
KMT2A Q03164 2/20 0.72
LMNA P02545 4/20 0.61
BLM P54132 1/20 0.59
CYP2C9 P11712 1/20 0.59
TSHR P16473 1/20 0.59
SLC22A2 O15244 1/20 0.59
SLC22A1 O15245 1/20 0.59
SLC22A3 O75751 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
SCHEMBL3649005 1.00 HIF1A (0.72) HIF1ANR3C2NR3C1HSD17B10PGR
SCHEMBL10597597 1.00 HIF1A (0.72) HIF1ANR3C2NR3C1HSD17B10PGR
SCHEMBL10597610 1.00 HIF1A (0.72) HIF1ANR3C2NR3C1HSD17B10PGR
SCHEMBL147438 1.00 HIF1A (0.72) HIF1ANR3C2NR3C1HSD17B10PGR
SCHEMBL141636 0.91 HIF1A (0.73) HIF1ANR3C2NR3C1HSD17B10PGR
SCHEMBL8712243 0.91 HIF1A (0.73) HIF1ANR3C2NR3C1HSD17B10PGR
SCHEMBL27991637 0.91 HIF1A (0.73) HIF1ANR3C2NR3C1HSD17B10PGR
SCHEMBL141635 0.91 HIF1A (0.73) HIF1ANR3C2NR3C1HSD17B10PGR
SCHEMBL10497312 0.89 HIF1A (0.70) HIF1ANR3C2NR3C1HSD17B10PGR
SCHEMBL10062789 0.89 HIF1A (0.64) HIF1ANR3C2NR3C1HSD17B10PGR

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-2012046050-A1 NOVEL COMBINATIONS ASTRAZENECA AB (SE) 2012-04-12 WO disclosed