SCHEMBL9687638

SCHEMBL9687638

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.52
NR3C2 P08235 7/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
LMNA P02545 4/20 0.52
SERPINA6 P08185 4/20 0.52
HSD17B10 Q99714 3/20 0.52
SHBG P04278 3/20 0.52
HSD11B1 P28845 2/20 0.52
HSD11B2 P80365 2/20 0.52
MAPT P10636 2/20 0.52
CYP3A4 P08684 2/20 0.52
NFKB1 P19838 2/20 0.52
BLM P54132 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
SLC22A2 O15244 1/20 0.52
SLC22A1 O15245 1/20 0.52
SLC22A3 O75751 1/20 0.52
MAPK1 P28482 1/20 0.52
THPO P40225 1/20 0.52

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
SCHEMBL9687624 1.00 HIF1A (0.52) HIF1ANR3C2SMN1; SMN2LMNASERPINA6
SCHEMBL9688326 0.86 CYP17A1 (0.69) HIF1ANR3C2SMN1; SMN2LMNASERPINA6
SCHEMBL9687413 0.83 NR3C1 (0.50) HIF1ANR3C2SMN1; SMN2LMNASERPINA6
SCHEMBL9687420 0.83 NR3C1 (0.50) HIF1ANR3C2SMN1; SMN2LMNASERPINA6
SCHEMBL9655906 0.83 HIF1A (0.62) HIF1ANR3C2SMN1; SMN2LMNASERPINA6
SCHEMBL9655893 0.83 HIF1A (0.62) HIF1ANR3C2SMN1; SMN2LMNASERPINA6
SCHEMBL9657103 0.83 HIF1A (0.62) HIF1ANR3C2SMN1; SMN2LMNASERPINA6
SCHEMBL10599706 0.79 HIF1A (0.64) HIF1ANR3C2SMN1; SMN2LMNASERPINA6
SCHEMBL1180510 0.79 NR3C2 (0.71) HIF1ANR3C2SMN1; SMN2LMNASERPINA6
SCHEMBL10599694 0.79 HIF1A (0.64) HIF1ANR3C2SMN1; SMN2LMNASERPINA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5082835-A Antiinflammatory agents RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1992-01-21 US disclosed
US-5053404-A Antiinflammatory and antiasthmatic agents RICHTER GEDEON VEGYESZETI GYAR R. T. (HU) 1991-10-01 US disclosed
EP-0387090-A2 Steroid derivatives,processes for their preparation and pharmaceutical compositions thereof RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1990-09-12 EP disclosed
EP-0387091-A2 Steroid diols, processes for their preparation and pharmaceutical compositions thereof RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1990-09-12 EP disclosed