SCHEMBL8941893

SCHEMBL8941893

COc1ccc(N2C(=O)O[C@H](COc3cccc(C=C4NC(=O)SC4=O)c3)[C@@H]2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.48
CLK1 P49759 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A1 P68400 1/20 0.48
DYRK1A Q13627 1/20 0.48
DYRK2 Q92630 1/20 0.48
DYRK1B Q9Y463 1/20 0.48
PIM1 P11309 2/20 0.42
AKR1B1 P15121 2/20 0.42
PIM2 Q9P1W9 2/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NOD2 Q9HC29 2/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ERO1A Q96HE7 1/20 0.38
ADAMTS5 Q9UNA0 2/20 0.36
PSMB5 P28074 1/20 0.36

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
SCHEMBL8941889 0.81 PIM1 (0.56) CSNK2A2CLK1CSNK2BCSNK2A1DYRK1A
SCHEMBL8941935 0.75 ALDH1A1 (0.44) CLK1DYRK1ADYRK1BMEN1KMT2A
SCHEMBL7466029 0.75 CSNK2A1 (0.71) CSNK2A2CLK1CSNK2BCSNK2A1DYRK1A
SCHEMBL8942112 0.72 SIRT2 (0.37) GRM2
SCHEMBL8941897 0.70 GRM2 (0.42) MEN1KMT2AL3MBTL1GRM2
SCHEMBL8942109 0.70 FFAR1 (0.50) MEN1KMT2AHPGD
SCHEMBL8615376 0.69 CLK1 (1.00) CSNK2A2CLK1CSNK2BCSNK2A1DYRK1A
SCHEMBL9433321 0.67 MMP13 (0.61) AKR1B1MEN1KMT2APOLBADAMTS5
SCHEMBL8941864 0.66 HSD11B1 (0.43) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL8159453 0.64 HPGD (0.60) AKR1B1MEN1KMT2APOLBADAMTS5

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