SCHEMBL2454191

SCHEMBL2454191

CC(C)(O)C(C)(C)OB(O)c1ccccc1N1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 3/20 0.38
AKR1C3 P42330 4/20 0.38
ACHE P22303 1/20 0.38
ALDH1A1 P00352 4/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TSHR P16473 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDE4A P27815 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL17110812 0.79 GPR119 (0.44) MAPTLMNAACHEALDH1A1GAA
SCHEMBL1236482 0.78 ALDH1A1 (0.41) MAPTALOX15HSD17B10LMNAAKR1C3
SCHEMBL29953074 0.77 HSD17B10 (0.49) POLBMAPTALOX15HSD17B10LMNA
SCHEMBL19533 0.77 HSD17B10 (0.49) POLBMAPTALOX15HSD17B10LMNA
SCHEMBL425688 0.75 KMO (0.43) LMNAAKR1C3ALDH1A1SMN1; SMN2
SCHEMBL840950 0.73 ENPP2 (0.32) ALOX15HSD17B10ALDH1A1TDP1SMN1; SMN2
SCHEMBL5899432 0.73 TSHR (0.36) POLBMAPTALOX15HSD17B10LMNA
SCHEMBL114540 0.72 POLB (0.43) POLBHSD17B10LMNAALDH1A1KMT2A
SCHEMBL219142 0.72 ALDH1A1 (0.43) POLBMAPTALOX15HSD17B10LMNA
SCHEMBL22684752 0.71 ENPP2 (0.33) ACHETSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2365809-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD Pharmaceuticals, Inc (US) 2011-09-21 EP disclosed
WO-2010056311-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
EP-2124913-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008077597-A1 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS NOVARTIS AG (CH) 2008-07-03 WO disclosed