SCHEMBL4424014

SCHEMBL4424014

CC(C)(O)C(=O)c1ccc(COC(=O)N(CCCCCCN2C(=O)N(CCCCCCNC(=O)OC(c3ccc(C(=O)C(C)(C)O)cc3)c3ccc(C(=O)C(C)(C)O)cc3)C2=O)c2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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 0.93 ALDH1A1 (0.36) KDM4ENPC1ALDH1A1GAAHPGD
SCHEMBL3096288 0.93 ALDH1A1 (0.36) KDM4ENPC1ALDH1A1GAAHPGD
SCHEMBL3087211 0.93 ALDH1A1 (0.36) KDM4ENPC1ALDH1A1GAAHPGD
SCHEMBL4413070 0.92 KDM4E (0.32) KDM4ENPC1ALDH1A1GAAHPGD
SCHEMBL4417752 0.86 SMN1; SMN2 (0.33) KDM4ENPC1ALDH1A1GAAHPGD
SCHEMBL4424007 0.85 DRD2 (0.34) NPC1ALDH1A1GAAMAPK1SMN1; SMN2
SCHEMBL4423986 0.83 MGLL (0.30)
SCHEMBL4413102 0.81
SCHEMBL4423966 0.80
SCHEMBL4418453 0.79 ALDH1A1 (0.37) KDM4ENPC1ALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620475-B1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2009-11-11 EP disclosed
US-7462650-B2 Trifunctional photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2008-12-09 US 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