SCHEMBL5569719

SCHEMBL5569719

CC(C)(O)C(=O)c1ccc(COC(=O)CCCCCCCCCCCCC(=O)OCc2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
EPHX2 P34913 2/20 0.40
MEN1 O00255 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
HSP90AA1 P07900 1/20 0.37
FAAH O00519 1/20 0.37
MGLL Q99685 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 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
SCHEMBL3668172 0.98 KMT2A (0.41) KMT2AEPHX2MEN1RAB9AALDH1A1
SCHEMBL3673376 0.94 DGKA (0.45)
SCHEMBL3677449 0.92 RAB9A (0.45) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL3670798 0.88 KMT2A (0.40) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL3671959 0.86 ALDH1A1 (0.44) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL5568855 0.83 KMT2A (0.41) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL3670930 0.81 KMT2A (0.62) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL3676951 0.81 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3673108 0.79 KMT2A (0.38) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL3670889 0.79 ALDH1A1 (0.46) KMT2AMEN1RAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763499-B1 NEW PHOTOINITIATORS CIBA SC HOLDING AG (CH) 2007-09-26 EP disclosed
EP-1763499-A1 NEW PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-03-21 EP disclosed
WO-2005100292-A1 NEW PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-10-27 WO disclosed