SCHEMBL3096288

SCHEMBL3096288

CC(C)(O)C(=O)c1ccc(COC(=O)N(CCCCCCCCNC(=O)OC(c2ccc(C(=O)C(C)(C)O)cc2)c2ccc(C(=O)C(C)(C)O)cc2)c2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 3/20 0.33
TGM2 P21980 2/20 0.32
HDAC1 Q13547 4/20 0.31
HDAC2 Q92769 4/20 0.31
HDAC10 Q969S8 4/20 0.31
HDAC8 Q9BY41 4/20 0.31
HDAC6 Q9UBN7 4/20 0.31
HDAC3 O15379 2/20 0.31
HDAC4 P56524 2/20 0.31
HDAC7 Q8WUI4 2/20 0.31
HDAC11 Q96DB2 2/20 0.31

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
SCHEMBL3076988 1.00 ALDH1A1 (0.36) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL3087211 1.00 ALDH1A1 (0.36) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL4413070 0.93 KDM4E (0.32) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL4424014 0.93 KDM4E (0.32) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL4417752 0.93 SMN1; SMN2 (0.33) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL4423986 0.89 MGLL (0.30)
SCHEMBL4413102 0.87
SCHEMBL4423966 0.86
SCHEMBL4418453 0.85 ALDH1A1 (0.37) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL4428562 0.85 ALDH1A1 (0.37) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137756-A1 Water Based Concentrated Product Forms of Photoinitiators Made by a Heterophase Polymerization Technique BASF SE (DE) 2016-05-19 US disclosed
EP-2035496-B1 WATER BASED CONCENTRATED PRODUCT FORMS OF PHOTOINITIATORS MADE BY A HETEROPHASE POLYMERIZATION TECHNIQUE BASF SE (DE) 2014-07-30 EP disclosed
US-20100234484-A1 Water based concentrated product forms of photoinitiators made by a heterophase polymerization technique IGM GROUP B.V. (NL) 2010-09-16 US disclosed
EP-1620475-B1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2009-11-11 EP disclosed
EP-2035496-A1 WATER BASED CONCENTRATED PRODUCT FORMS OF PHOTOINITIATORS MADE BY A HETEROPHASE POLYMERIZATION TECHNIQUE Ciba Holding Inc. (CH) 2009-03-18 EP disclosed
US-7462650-B2 Trifunctional photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-12-09 US disclosed
WO-2008003601-A1 WATER BASED CONCENTRATED PRODUCT FORMS OF PHOTOINITIATORS MADE BY A HETEROPHASE POLYMERIZATION TECHNIQUE CIBA HOLDING INC. (CH) 2008-01-10 WO disclosed
US-20060270748-A1 Novel trifunctional photoinitiators IGM GROUP B.V. (NL) 2006-11-30 US disclosed
EP-1620475-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS Ciba SC Holding AG (CH) 2006-02-01 EP disclosed
WO-2004099262-A1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-11-18 WO disclosed