SCHEMBL14107889

SCHEMBL14107889

C[C@@H](O)C1CCC2[C@@H](O[Si](C)(C)C(C)(C)C)CCCC21C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 3/20 0.42
▸ CDC25B P30305 2/20 0.42
▸ LMNA P02545 1/20 0.37
▸ GPBAR1 Q8TDU6 1/20 0.37
▸ CYP17A1 P05093 4/20 0.33
▸ PPM1D O15297 2/20 0.33
▸ ATP1A1 P05023 1/20 0.33
▸ ATP1B1 P05026 1/20 0.33
▸ ATP1A3 P13637 1/20 0.33
▸ ATP1B2 P14415 1/20 0.33
▸ ATP1A2 P50993 1/20 0.33
▸ ATP1B3 P54709 1/20 0.33
▸ FXYD2 P54710 1/20 0.33
▸ ATP1A4 Q13733 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ UGT2B7 P16662 2/20 0.33
▸ P2RY12 Q9H244 1/20 0.32

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
SCHEMBL25095403 1.00 CDC25A (0.42) CDC25ACDC25BLMNAGPBAR1CYP17A1
SCHEMBL4170618 1.00 CDC25A (0.42) CDC25ACDC25BLMNAGPBAR1CYP17A1
SCHEMBL4170622 1.00 CDC25A (0.42) CDC25ACDC25BLMNAGPBAR1CYP17A1
SCHEMBL13852405 1.00 CDC25A (0.42) CDC25ACDC25BLMNAGPBAR1CYP17A1
SCHEMBL8677904 1.00 CDC25A (0.42) CDC25ACDC25BLMNAGPBAR1CYP17A1
SCHEMBL8213600 0.86 CDC25A (0.47) CDC25ACDC25BLMNAGPBAR1PPM1D
SCHEMBL3182269 0.86 CDC25A (0.47) CDC25ACDC25BLMNAGPBAR1PPM1D
SCHEMBL13343106 0.86 CDC25A (0.47) CDC25ACDC25BLMNAGPBAR1PPM1D
SCHEMBL3182273 0.86 CDC25A (0.47) CDC25ACDC25BLMNAGPBAR1PPM1D
SCHEMBL13343110 0.86 CDC25A (0.47) CDC25ACDC25BLMNAGPBAR1PPM1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7402688-B2 2,2-Di-substituted 1alpha,25-dihydroxy-19-norvitamin D derivative WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-07-22 — — US disclosed
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