SCHEMBL9657103

SCHEMBL9657103

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 7/20 0.62
NR3C2 P08235 7/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
HSD17B10 Q99714 3/20 0.62
SHBG P04278 3/20 0.62
SERPINA6 P08185 3/20 0.62
LMNA P02545 3/20 0.62
MAPT P10636 2/20 0.62
CYP3A4 P08684 2/20 0.62
NFKB1 P19838 2/20 0.62
BLM P54132 1/20 0.62
CYP2C9 P11712 1/20 0.62
TSHR P16473 1/20 0.62
SLC22A2 O15244 1/20 0.62
SLC22A1 O15245 1/20 0.62
SLC22A3 O75751 1/20 0.62
MAPK1 P28482 1/20 0.62
THPO P40225 1/20 0.62
MTOR P42345 1/20 0.62
SIGMAR1 Q99720 1/20 0.62

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
SCHEMBL9655893 1.00 HIF1A (0.62) HIF1ANR3C2SMN1; SMN2HSD17B10SHBG
SCHEMBL9655906 1.00 HIF1A (0.62) HIF1ANR3C2SMN1; SMN2HSD17B10SHBG
SCHEMBL10599706 0.88 HIF1A (0.64) HIF1ANR3C2SMN1; SMN2HSD17B10SHBG
SCHEMBL10599694 0.88 HIF1A (0.64) HIF1ANR3C2SMN1; SMN2HSD17B10SHBG
SCHEMBL9653514 0.84 CYP17A1 (0.78) HIF1ANR3C2SMN1; SMN2HSD17B10SHBG
SCHEMBL14935584 0.84 HIF1A (0.64) HIF1ANR3C2SMN1; SMN2HSD17B10SHBG
SCHEMBL9687624 0.83 HIF1A (0.52) HIF1ANR3C2SMN1; SMN2HSD17B10SHBG
SCHEMBL9687638 0.83 HIF1A (0.52) HIF1ANR3C2SMN1; SMN2HSD17B10SHBG
SCHEMBL24862085 0.81 NR3C1 (0.59) HIF1ANR3C2SMN1; SMN2HSD17B10SERPINA6
SCHEMBL9504455 0.81 NR3C1 (0.59) HIF1ANR3C2SMN1; SMN2HSD17B10SERPINA6

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
EP-0127216-B1 PROCESS FOR THE PREPARATION OF 21-HYDROXY-20-KETO-DELTA16-STEROIDS AND INTERMEDIATE COMPOUNDS FORMED IN THIS PROCESS ROUSSEL-UCLAF (FR) 1992-01-02 EP disclosed
EP-0127216-A1 Process for the preparation of 21-hydroxy-20-keto-delta16-steroids and intermediate compounds formed in this process ROUSSEL-UCLAF (FR) 1984-12-05 EP disclosed