SCHEMBL8712243

SCHEMBL8712243

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.73
NR3C2 P08235 8/20 0.73
SERPINA6 P08185 5/20 0.73
NR3C1 P04150 3/20 0.73
HSD17B10 Q99714 3/20 0.73
PGR P06401 3/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
SHBG P04278 3/20 0.73
CYP2C19 P33261 2/20 0.73
CYP3A4 P08684 2/20 0.73
MAPT P10636 2/20 0.73
NFKB1 P19838 2/20 0.73
KMT2A Q03164 2/20 0.73
LMNA P02545 4/20 0.62
BLM P54132 1/20 0.60
CYP2C9 P11712 1/20 0.60
TSHR P16473 1/20 0.60
SLC22A2 O15244 1/20 0.60
SLC22A1 O15245 1/20 0.60
SLC22A3 O75751 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
SCHEMBL141636 1.00 HIF1A (0.73) HIF1ANR3C2SERPINA6NR3C1HSD17B10
SCHEMBL27991637 1.00 HIF1A (0.73) HIF1ANR3C2SERPINA6NR3C1HSD17B10
SCHEMBL141635 1.00 HIF1A (0.73) HIF1ANR3C2SERPINA6NR3C1HSD17B10
SCHEMBL147438 0.91 HIF1A (0.72) HIF1ANR3C2SERPINA6NR3C1HSD17B10
SCHEMBL10597610 0.91 HIF1A (0.72) HIF1ANR3C2SERPINA6NR3C1HSD17B10
SCHEMBL10062395 0.91 HIF1A (0.72) HIF1ANR3C2SERPINA6NR3C1HSD17B10
SCHEMBL11641738 0.91 HIF1A (0.64) HIF1ANR3C2SERPINA6NR3C1HSD17B10
SCHEMBL10597597 0.91 HIF1A (0.72) HIF1ANR3C2SERPINA6NR3C1HSD17B10
SCHEMBL11641729 0.91 HIF1A (0.64) HIF1ANR3C2SERPINA6NR3C1HSD17B10
SCHEMBL3649005 0.91 HIF1A (0.72) HIF1ANR3C2SERPINA6NR3C1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4404200-A 16, 17-ACETALS OF 16-ALPHA-HYDROXYCORTISOL AKTIEBOLAGET DRACO (SE) 1983-09-13 US claimed
EP-0054010-A1 4-Pregnene-derivatives, a process for their preparation and composition for the treatment of inflammatory conditions Aktiebolaget Draco (SE) 1982-06-16 EP claimed
EP-0572451-B1 NOVEL STEROID ESTERS ASTRA AB (SE) 1998-04-01 EP disclosed
US-4404200-A 16, 17-ACETALS OF 16-ALPHA-HYDROXYCORTISOL AKTIEBOLAGET DRACO (SE) 1983-09-13 US disclosed
EP-0054010-A1 4-Pregnene-derivatives, a process for their preparation and composition for the treatment of inflammatory conditions Aktiebolaget Draco (SE) 1982-06-16 EP disclosed
US-3956349-A TRIETHYL ORTHOACETATE, ACID CATALYST SYNTEX (U.S.A.) INC. (US) 1976-05-11 US disclosed