SCHEMBL10062789

SCHEMBL10062789

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)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 9/20 0.64
LMNA P02545 4/20 0.64
NR3C2 P08235 6/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
SERPINA6 P08185 5/20 0.61
HSD17B10 Q99714 3/20 0.61
NR3C1 P04150 3/20 0.61
CYP3A4 P08684 3/20 0.61
SHBG P04278 3/20 0.61
CYP2C19 P33261 2/20 0.61
PGR P06401 2/20 0.61
MAPT P10636 2/20 0.61
NFKB1 P19838 2/20 0.61
KMT2A Q03164 1/20 0.61
HSD11B1 P28845 2/20 0.57
HSD11B2 P80365 2/20 0.57
AR P10275 1/20 0.57
CHRM1 P11229 1/20 0.57
BLM P54132 1/20 0.55
CYP2C9 P11712 1/20 0.55

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
SCHEMBL10704078 0.92 HIF1A (0.70) HIF1ALMNANR3C2SMN1; SMN2SERPINA6
SCHEMBL11792996 0.92 HIF1A (0.70) HIF1ALMNANR3C2SMN1; SMN2SERPINA6
SCHEMBL10497302 0.92 HIF1A (0.70) HIF1ALMNANR3C2SMN1; SMN2SERPINA6
SCHEMBL10497312 0.92 HIF1A (0.70) HIF1ALMNANR3C2SMN1; SMN2SERPINA6
SCHEMBL10597597 0.89 HIF1A (0.72) HIF1ALMNANR3C2SMN1; SMN2SERPINA6
SCHEMBL3649005 0.89 HIF1A (0.72) HIF1ALMNANR3C2SMN1; SMN2SERPINA6
SCHEMBL147438 0.89 HIF1A (0.72) HIF1ALMNANR3C2SMN1; SMN2SERPINA6
SCHEMBL10597610 0.89 HIF1A (0.72) HIF1ALMNANR3C2SMN1; SMN2SERPINA6
SCHEMBL10062395 0.89 HIF1A (0.72) HIF1ALMNANR3C2SMN1; SMN2SERPINA6
SCHEMBL11423661 0.87 HIF1A (0.60) HIF1ALMNANR3C2SMN1; SMN2SERPINA6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012046050-A1 NOVEL COMBINATIONS ASTRAZENECA AB (SE) 2012-04-12 WO disclosed
WO-2010114476-A1 NOVEL DERIVATIVES OF STEROIDAL[3,2-C]PYRAZOLE COMPOUNDS WITH GLUCOCORTICOID ACTIVITY ASTRAZENECA AB (SE) 2010-10-07 WO disclosed