SCHEMBL2482647

SCHEMBL2482647

CC1C[C@@H]2[C@H]([C@@H](O)C[C@@]3(C)[C@H]2CC[C@]3(O)C(=O)C(O)C(CC(=O)O)C(=O)O)[C@@]2(C)C=CC(=O)C=C12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.69
HIF1A Q16665 6/20 0.69
NR3C1 P04150 6/20 0.69
PGR P06401 6/20 0.69
HSD17B10 Q99714 4/20 0.69
ABCB11 O95342 3/20 0.69
ALDH1A1 P00352 2/20 0.69
NR1I2 O75469 2/20 0.69
ABCC4 O15439 1/20 0.69
PDE4D Q08499 1/20 0.69
AR P10275 3/20 0.64
F2 P00734 1/20 0.64
TNF P01375 1/20 0.49
IL6 P05231 1/20 0.49
SERPINA6 P08185 1/20 0.49
NR3C2 P08235 1/20 0.49
GLUL P15104 1/20 0.49
ADAM17 P78536 1/20 0.49
GPBAR1 Q8TDU6 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL9602408 0.91 CYP3A4 (0.72) CYP3A4HIF1ANR3C1PGRHSD17B10
SCHEMBL6835391 0.91 CYP3A4 (0.72) CYP3A4HIF1ANR3C1PGRHSD17B10
SCHEMBL21145516 0.88 CYP3A4 (0.78) CYP3A4HIF1ANR3C1PGRHSD17B10
SCHEMBL10798815 0.86 CYP3A4 (0.74) CYP3A4HIF1ANR3C1PGRHSD17B10
SCHEMBL10798820 0.86 CYP3A4 (0.74) CYP3A4HIF1ANR3C1PGRHSD17B10
SCHEMBL9789817 0.85 NR3C1 (0.69) CYP3A4HIF1ANR3C1PGRHSD17B10
SCHEMBL5299558 0.85 NR3C1 (0.68) CYP3A4HIF1ANR3C1PGRHSD17B10
SCHEMBL11503763 0.85 NR3C1 (0.68) CYP3A4HIF1ANR3C1PGRHSD17B10
SCHEMBL27737031 0.85 NR3C1 (0.67) CYP3A4HIF1ANR3C1PGRHSD17B10
SCHEMBL3406702 0.84 CYP3A4 (0.81) CYP3A4HIF1ANR3C1PGRHSD17B10

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
EP-2108366-B1 Idebenone for the treatment of respiratory illness in muscular dystrophy SANTHERA PHARMACEUTICALS CH (CH) 2011-10-19 EP claimed