SCHEMBL8101042

SCHEMBL8101042

C[C@H](CCCC(C)(C)O)[C@H]1CCC[C@H]2[C@@H](O)CCC[C@]12C

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CDC25A P30304 1/20 0.64
▸ CDC25B P30305 1/20 0.64
▸ OSBP P22059 3/20 0.52
▸ OSBP2 Q969R2 3/20 0.52
▸ NPC1L1 Q9UHC9 4/20 0.49
▸ GPR183 P32249 3/20 0.49
▸ VDR P11473 3/20 0.47
▸ CRYAB P02511 1/20 0.47
▸ HMGCR P04035 1/20 0.47
▸ ITGB3 P05106 1/20 0.47
▸ ITGAV P06756 1/20 0.47
▸ RORC P51449 1/20 0.47
▸ SREBF2 Q12772 1/20 0.47
▸ NR1H3 Q13133 1/20 0.47

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
SCHEMBL8503731 1.00 CDC25A (0.64) CDC25ACDC25BOSBPOSBP2NPC1L1
SCHEMBL26322309 0.94 CDC25A (0.74) CDC25ACDC25BOSBPOSBP2NPC1L1
SCHEMBL17888102 0.94 CDC25A (0.74) CDC25ACDC25BOSBPOSBP2NPC1L1
SCHEMBL29067231 0.94 CDC25A (0.74) CDC25ACDC25BOSBPOSBP2NPC1L1
SCHEMBL14107828 0.94 CDC25A (0.74) CDC25ACDC25BOSBPOSBP2NPC1L1
SCHEMBL26324654 0.94 CDC25A (0.74) CDC25ACDC25BOSBPOSBP2NPC1L1
SCHEMBL14371762 0.94 CDC25A (0.74) CDC25ACDC25BOSBPOSBP2NPC1L1
SCHEMBL9010519 0.84 CDC25A (0.76) CDC25ACDC25BOSBPOSBP2NPC1L1
SCHEMBL13392701 0.82 CDC25A (0.56) CDC25ACDC25BOSBPOSBP2NPC1L1
SCHEMBL3221542 0.82 CDC25A (0.56) CDC25ACDC25BOSBPOSBP2NPC1L1

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-0771789-B1 1 alpha, 26-dihydroxy-D-homo-vitamin D3 HOFFMANN LA ROCHE (CH) 2000-02-16 — — EP disclosed
EP-0771789-A1 1 alpha, 26-dihydroxy-D-homo-vitamin D3 F. HOFFMANN-LA ROCHE AG (CH) 1997-05-07 — — EP disclosed
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