SCHEMBL9711314

SCHEMBL9711314

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 7/20 0.75
HSD17B10 Q99714 7/20 0.75
NR3C1 P04150 5/20 0.75
SERPINA6 P08185 5/20 0.75
SMN1; SMN2 Q16637 5/20 0.75
CYP2C19 P33261 4/20 0.75
SHBG P04278 4/20 0.75
NR3C2 P08235 4/20 0.75
CYP3A4 P08684 3/20 0.75
PGR P06401 3/20 0.75
MAPT P10636 3/20 0.75
KMT2A Q03164 3/20 0.75
NFKB1 P19838 1/20 0.75
LMNA P02545 6/20 0.73
BLM P54132 3/20 0.73
PMP22 Q01453 2/20 0.73
TSHR P16473 2/20 0.73
CYP2D6 P10635 1/20 0.60
ALDH1A1 P00352 1/20 0.60
KCNA1 Q09470 1/20 0.60

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
SCHEMBL9711310 1.00 HIF1A (0.75) HIF1AHSD17B10NR3C1SERPINA6SMN1; SMN2
SCHEMBL141582 0.89 HIF1A (0.74) HIF1AHSD17B10NR3C1SERPINA6SMN1; SMN2
SCHEMBL30297286 0.89 HIF1A (0.74) HIF1AHSD17B10NR3C1SERPINA6SMN1; SMN2
Hydrocortisone SCHEMBL19465688 0.86 HIF1A (1.00) HIF1AHSD17B10NR3C1SERPINA6SMN1; SMN2
Hydrocortisone SCHEMBL143923 0.86 HIF1A (1.00) HIF1AHSD17B10NR3C1SERPINA6SMN1; SMN2
Hydrocortisone SCHEMBL24900238 0.86 HIF1A (1.00) HIF1AHSD17B10NR3C1SERPINA6SMN1; SMN2
Hydrocortisone SCHEMBL6932400 0.86 HIF1A (1.00) HIF1AHSD17B10NR3C1SERPINA6SMN1; SMN2
Hydrocortisone SCHEMBL12737556 0.86 HIF1A (1.00) HIF1AHSD17B10NR3C1SERPINA6SMN1; SMN2
Hydrocortisone SCHEMBL5699764 0.86 HIF1A (1.00) HIF1AHSD17B10NR3C1SERPINA6SMN1; SMN2
Hydrocortisone SCHEMBL10261067 0.86 HIF1A (1.00) HIF1AHSD17B10NR3C1SERPINA6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5096892-A Arylsulfatase inhibition and potentiation of angiostatic steroids and heparin THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 1992-03-17 US disclosed
US-5021404-A Angiostatic collagen modulators THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 1991-06-04 US disclosed
US-4994443-A Administering heparin or a derivative thereof and a steroid THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 1991-02-19 US disclosed