SCHEMBL4428562

SCHEMBL4428562

CC(C)(O)C(=O)c1ccc(COC(=O)N(CCCCCCNC(=O)OCCOCCOCCOCCOCCOC(=O)NCCCCCCN(C(=O)OCc2ccc(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 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 4/20 0.36
TGM2 P21980 1/20 0.35
HTT P42858 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL4418453 1.00 ALDH1A1 (0.37) ALDH1A1HPGDSMN1; SMN2KDM4ENPC1
SCHEMBL4417752 0.86 SMN1; SMN2 (0.33) ALDH1A1HPGDSMN1; SMN2KDM4ENPC1
SCHEMBL3076988 0.85 ALDH1A1 (0.36) ALDH1A1HPGDSMN1; SMN2KDM4ENPC1
SCHEMBL3087211 0.85 ALDH1A1 (0.36) ALDH1A1HPGDSMN1; SMN2KDM4ENPC1
SCHEMBL3096288 0.85 ALDH1A1 (0.36) ALDH1A1HPGDSMN1; SMN2KDM4ENPC1
SCHEMBL3681588 0.80 TGM2 (0.50) ALDH1A1SMN1; SMN2LMNAMAPTTGM2
SCHEMBL3671587 0.80 TGM2 (0.50) ALDH1A1SMN1; SMN2LMNAMAPTTGM2
SCHEMBL3677653 0.80 TGM2 (0.50) ALDH1A1SMN1; SMN2LMNAMAPTTGM2
SCHEMBL3679607 0.80 TGM2 (0.50) ALDH1A1SMN1; SMN2LMNAMAPTTGM2
SCHEMBL4413070 0.79 KDM4E (0.32) ALDH1A1HPGDSMN1; SMN2KDM4ENPC1

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