SCHEMBL8941889

SCHEMBL8941889

COc1ccc(N2C(=O)O[C@H](COc3ccc(C=C4SC(=O)NC4=O)cc3)[C@@H]2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 3/20 0.56
PIM2 Q9P1W9 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
AKR1B1 P15121 1/20 0.56
HPGD P15428 8/20 0.55
PTGS2 P35354 2/20 0.54
POLB P06746 1/20 0.47
CSNK2A2 P19784 1/20 0.47
CLK1 P49759 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
DYRK1A Q13627 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
PYGL P06737 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL8941935 0.82 ALDH1A1 (0.44) NPC1RAB9AHPGDCLK1DYRK1A
SCHEMBL8941893 0.81 CSNK2A2 (0.48) PIM1PIM2NPC1RAB9AAKR1B1
SCHEMBL8941897 0.77 GRM2 (0.42)
SCHEMBL8942109 0.76 FFAR1 (0.50) HPGD
SCHEMBL1247708 0.75 PIM1 (1.00) PIM1PIM2NPC1RAB9AAKR1B1
SCHEMBL2546911 0.75 PIM1 (1.00) PIM1PIM2NPC1RAB9AAKR1B1
SCHEMBL1247705 0.75 PIM1 (1.00) PIM1PIM2NPC1RAB9AAKR1B1
SCHEMBL1300546 0.72 HPGD (1.00) PIM1PIM2NPC1RAB9AAKR1B1
SCHEMBL1300545 0.72 HPGD (1.00) PIM1PIM2NPC1RAB9AAKR1B1
SCHEMBL5509146 0.71 PIM1 (0.91) PIM1PIM2NPC1RAB9AAKR1B1

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
US-5521202-A ANTIDIABETIC AGENTS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0645387-A1 THIAZOLIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TAIHO PHARMACEUTICAL CO., LTD. (JP) 1995-03-29 EP disclosed