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SCHEMBL4413063

SCHEMBL4413063

CC(C)(O)C(=O)c1ccc(C(OC(=O)NCCCCCCn2c(=O)n(CCCCCCNC(=O)OC(c3ccc(C(=O)C(C)(C)O)cc3)c3ccc(C(=O)C(C)(C)O)cc3)c(=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 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 5/20 0.34
▸ MLYCD O95822 1/20 0.34
▸ FAAH O00519 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ CNR2 P34972 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
SCHEMBL3087208 0.90 MLYCD (0.40) MLYCDMGLLNPC1RAB9A
SCHEMBL3076985 0.90 MLYCD (0.40) MLYCDMGLLNPC1RAB9A
SCHEMBL3096274 0.90 MLYCD (0.40) MLYCDMGLLNPC1RAB9A
SCHEMBL4424007 0.89 DRD2 (0.34) DRD2MLYCDMGLLLMNANPC1
SCHEMBL4413066 0.88 DRD2 (0.31) DRD2
SCHEMBL27978002 0.85 MLYCD (0.37) MLYCDMGLLNPC1RAB9A
SCHEMBL4414431 0.85 MLYCD (0.48) MLYCDMGLL
SCHEMBL4417610 0.85 MLYCD (0.48) MLYCDMGLL
SCHEMBL27977983 0.85 MLYCD (0.37) MLYCDMGLLNPC1RAB9A
SCHEMBL4413070 0.85 KDM4E (0.32) NPC1

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