SCHEMBL8089730

SCHEMBL8089730

COC12CC3CC(C1)C(C(C)O)C(C3)C2

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
SCN9A Q15858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL20306048 0.85 NPSR1 (0.31) HSD11B1JAK2JAK1JAK3SCN9A
SCHEMBL8090288 0.73 SLC22A2 (0.30)
SCHEMBL20456980 0.73 HSD11B1 (0.36) HSD11B1JAK2JAK1JAK3SCN9A
SCHEMBL19248214 0.73 HSD11B1 (0.36) HSD11B1JAK2JAK1JAK3SCN9A
SCHEMBL2716449 0.72 JAK2 (0.34) HSD11B1JAK2JAK1JAK3SCN9A
SCHEMBL12861222 0.72 JAK2 (0.34) HSD11B1JAK2JAK1JAK3SCN9A
SCHEMBL12861242 0.72 JAK2 (0.34) HSD11B1JAK2JAK1JAK3SCN9A
SCHEMBL727714 0.72 NPSR1 (0.48) HSD11B1SMN1; SMN2
SCHEMBL13223459 0.69 HSD11B1 (0.38) HSD11B1JAK2JAK1JAK3SCN9A
SCHEMBL8089728 0.69 HSD11B1 (0.33) HSD11B1JAK2JAK1JAK3SCN9A

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
EP-0661271-B1 AZEPINE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS SIGMA-RECEPTOR LIGANDS ASAHI CHEMICAL IND (JP) 2000-04-26 EP disclosed
US-5658923-A USED IN TREATING DISEASES RELATED TO SIGMA-RECEPTOR, SUCH AS SCHIZOPHRENIA ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-08-19 US disclosed
EP-0661271-A1 AZEPINE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-07-05 EP disclosed