SCHEMBL4417752

SCHEMBL4417752

CC(C)(O)C(=O)c1ccc(COC(=O)N(CCCCCCNC(=O)NCCOCCOCCNC(=O)NCCCCCCNC(=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 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.31
HDAC3 O15379 3/20 0.30
HDAC4 P56524 3/20 0.30
HDAC1 Q13547 3/20 0.30
HDAC7 Q8WUI4 3/20 0.30
HDAC2 Q92769 3/20 0.30
HDAC10 Q969S8 3/20 0.30
HDAC11 Q96DB2 3/20 0.30
HDAC8 Q9BY41 3/20 0.30
HDAC6 Q9UBN7 3/20 0.30

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
SCHEMBL3096288 0.93 ALDH1A1 (0.36) SMN1; SMN2KDM4EALDH1A1HPGDNPC1
SCHEMBL3076988 0.93 ALDH1A1 (0.36) SMN1; SMN2KDM4EALDH1A1HPGDNPC1
SCHEMBL3087211 0.93 ALDH1A1 (0.36) SMN1; SMN2KDM4EALDH1A1HPGDNPC1
SCHEMBL4418058 0.86
SCHEMBL4424014 0.86 KDM4E (0.32) SMN1; SMN2KDM4EALDH1A1HPGDNPC1
SCHEMBL4413070 0.86 KDM4E (0.32) SMN1; SMN2KDM4EALDH1A1HPGDNPC1
SCHEMBL4418453 0.86 ALDH1A1 (0.37) SMN1; SMN2LMNAKDM4EALDH1A1HPGD
SCHEMBL4428562 0.86 ALDH1A1 (0.37) SMN1; SMN2LMNAKDM4EALDH1A1HPGD
SCHEMBL4413102 0.85
SCHEMBL4417749 0.85 MLYCD (0.34) SMN1; SMN2ALDH1A1HPGDNPC1MAPT

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-1620475-B1 NOVEL TRIFUNCTIONAL PHOTOINITIATORS BASF SE (DE) 2009-11-11 EP 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