SCHEMBL7686350

SCHEMBL7686350

CC(C)(C)OC(=O)N1[C@@H](CCc2ccc(O)cc2)COC1(C)C

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.41
BRD4 O60885 1/20 0.38
HSD11B2 P80365 1/20 0.37
KDM4E B2RXH2 1/20 0.35
F13A1 P00488 1/20 0.35
MAOB P27338 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
KDM1A O60341 1/20 0.33
ESR2 Q92731 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CA3 P07451 1/20 0.33
ALOX5 P09917 1/20 0.33

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
SCHEMBL3617796 0.90 SPHK1 (0.41) SPHK1BRD4HSD11B2MAOB
SCHEMBL3617792 0.90 SPHK1 (0.41) SPHK1BRD4HSD11B2MAOB
SCHEMBL502794 0.90 SPHK1 (0.41) SPHK1BRD4HSD11B2DDB1CRBN
SCHEMBL502795 0.90 SPHK1 (0.41) SPHK1BRD4HSD11B2DDB1CRBN
SCHEMBL14350826 0.90 SPHK1 (0.42) SPHK1BRD4HSD11B2KDM4E
SCHEMBL14338696 0.90 SPHK1 (0.42) SPHK1BRD4HSD11B2KDM4E
SCHEMBL6924329 0.90 SPHK1 (0.42) SPHK1BRD4HSD11B2KDM4E
SCHEMBL1760155 0.89 BRD4 (0.41) SPHK1BRD4HSD11B2KDM4E
SCHEMBL1760152 0.89 BRD4 (0.41) SPHK1BRD4HSD11B2KDM4E
SCHEMBL2290590 0.88 SPHK1 (0.43) SPHK1BRD4HSD11B2DDB1CRBN

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
WO-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed