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SCHEMBL4424007

SCHEMBL4424007

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)C2=O)c2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 7/20 0.34
▸ MLYCD O95822 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ HDAC6 Q9UBN7 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3096274 0.90 MLYCD (0.40) MLYCDMGLLNPC1RAB9AHDAC6
SCHEMBL3087208 0.90 MLYCD (0.40) MLYCDMGLLNPC1RAB9AHDAC6
SCHEMBL3076985 0.90 MLYCD (0.40) MLYCDMGLLNPC1RAB9AHDAC6
SCHEMBL4413063 0.89 DRD2 (0.34) DRD2MLYCDLMNAMGLLNPC1
SCHEMBL4424008 0.88 DRD2 (0.31) DRD2
SCHEMBL27977983 0.85 MLYCD (0.37) MLYCDMGLLNPC1RAB9AHDAC6
SCHEMBL4414431 0.85 MLYCD (0.48) MLYCDMGLLALDH1A1MAPTSMN1; SMN2
SCHEMBL27978002 0.85 MLYCD (0.37) MLYCDMGLLNPC1RAB9AHDAC6
SCHEMBL4417610 0.85 MLYCD (0.48) MLYCDMGLLALDH1A1MAPTSMN1; SMN2
SCHEMBL4424014 0.85 KDM4E (0.32) NPC1ALDH1A1GAAMAPK1SMN1; SMN2

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