SCHEMBL2568628

SCHEMBL2568628

COC(=O)C(Cc1ccc(Oc2ccc(/C=C3\SC(=O)NC3=O)cc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.47
AKR1B1 P15121 2/20 0.47
PIM1 P11309 5/20 0.46
PIM2 Q9P1W9 4/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ADAMTS5 Q9UNA0 1/20 0.45
CISD1 Q9NZ45 1/20 0.44
GPR35 Q9HC97 1/20 0.43
IGF1R P08069 1/20 0.43
KLK5 Q9Y337 1/20 0.43
GPR119 Q8TDV5 2/20 0.42

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
SCHEMBL3868253 1.00 HPGD (0.47) HPGDAKR1B1PIM1PIM2NPC1
SCHEMBL1384803 1.00 HPGD (0.47) HPGDAKR1B1PIM1PIM2NPC1
SCHEMBL3868250 1.00 HPGD (0.47) HPGDAKR1B1PIM1PIM2NPC1
SCHEMBL13866886 1.00 HPGD (0.47) HPGDAKR1B1PIM1PIM2NPC1
SCHEMBL3965258 0.93 HPGD (0.42) HPGDAKR1B1PIM1PIM2NPC1
SCHEMBL1385240 0.92 ITGB3 (0.51) HPGDAKR1B1PIM1PIM2NPC1
SCHEMBL2572450 0.92 ITGB3 (0.51) HPGDAKR1B1PIM1PIM2NPC1
SCHEMBL3972336 0.91 PIM1 (0.43) HPGDAKR1B1PIM1PIM2NPC1
SCHEMBL3972338 0.91 PIM1 (0.43) HPGDAKR1B1PIM1PIM2NPC1
SCHEMBL3965304 0.91 REN (0.42) HPGDAKR1B1PIM1PIM2NPC1

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
EP-1583529-B1 AMINO ACID PHENOXY ETHERS, THEIR PREPARATION AND USES BEXEL PHARMACEUTICALS INC (US) 2011-11-09 EP claimed