SCHEMBL7147377

SCHEMBL7147377

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 4/20 0.45
CDC25B P30305 2/20 0.45
GPBAR1 Q8TDU6 4/20 0.36
PPM1D O15297 2/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
AKR1B10 O60218 1/20 0.31
AKR1B1 P15121 1/20 0.31
EFNA1 P20827 1/20 0.31
EPHA2 P29317 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL7147375 1.00 CDC25A (0.45) CDC25ACDC25BGPBAR1PPM1DJAK2
SCHEMBL7147372 1.00 CDC25A (0.45) CDC25ACDC25BGPBAR1PPM1DJAK2
SCHEMBL7145023 0.94 CDC25A (0.40) CDC25ACDC25BGPBAR1PPM1D
SCHEMBL7145028 0.94 CDC25A (0.40) CDC25ACDC25BGPBAR1PPM1D
SCHEMBL8674922 0.85 CDC25A (0.40) CDC25ACDC25BGPBAR1PPM1D
SCHEMBL14107826 0.85 CDC25A (0.40) CDC25ACDC25BGPBAR1PPM1D
SCHEMBL8209307 0.85 CDC25A (0.40) CDC25ACDC25BGPBAR1PPM1D
SCHEMBL3175294 0.85 CDC25A (0.45) CDC25ACDC25BGPBAR1PPM1DAKR1B10
SCHEMBL9070734 0.85 CDC25A (0.45) CDC25ACDC25BGPBAR1AKR1B10AKR1B1
SCHEMBL14107823 0.85 CDC25A (0.47) CDC25ACDC25BGPBAR1PPM1DAKR1B10

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-0998455-B1 DIHOMO-SECO-CHOLESTANES WITH TWO UNSATURATED BONDS IN THE SIDE CHAIN HOFFMANN LA ROCHE (CH) 2003-10-01 EP disclosed
US-5994569-A USEFUL IN THE TREATMENT OR PREVENTION OF VITAMIN D DEPENDENT DISORDERS AND OF IL-12-DEPENDENT AUTOIMMUNE DISEASES HOFFMANN-LA ROCHE INC. (US) 1999-11-30 US disclosed