SCHEMBL4418549

SCHEMBL4418549

CC(C)(O)C(=O)c1ccc(C(NCCOC(=O)NCCCCCCNC(=O)OCCNC(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 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.38
MLYCD O95822 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MGLL Q99685 1/20 0.35
EPHX2 P34913 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL4419003 0.91 TXNRD1 (0.35) ACHETSHR
SCHEMBL4413049 0.83 TXNRD1 (0.38) ACHEMLYCDTSHR
SCHEMBL4418619 0.81 OPRD1 (0.36) MLYCDTSHRRAB9A
SCHEMBL4418809 0.81 ALDH1A1 (0.40) MLYCDALDH1A1RAB9A
SCHEMBL4428556 0.81 ACHE (0.37) ACHEMLYCDALDH1A1LMNAMGLL
SCHEMBL4418446 0.81 ACHE (0.37) ACHEMLYCDALDH1A1LMNAMGLL
SCHEMBL4417629 0.80 MLYCD (0.47) MLYCDTSHRALDH1A1LMNA
SCHEMBL21034810 0.79 CA12 (0.48) ACHEMGLLNPC1RAB9A
SCHEMBL3096274 0.79 MLYCD (0.40) MLYCDALDH1A1MGLLNPC1RAB9A
SCHEMBL3087208 0.79 MLYCD (0.40) MLYCDALDH1A1MGLLNPC1RAB9A

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