SCHEMBL4417610

SCHEMBL4417610

CCCCCCNC(=O)OC(c1ccc(C(=O)C(C)(C)O)cc1)c1ccc(C(=O)C(C)(C)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.48
MGLL Q99685 5/20 0.46
EPHX1 P07099 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NAAA Q02083 3/20 0.41

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
SCHEMBL4414431 1.00 MLYCD (0.48) MLYCDMGLLEPHX1L3MBTL1MEN1
SCHEMBL3076985 0.95 MLYCD (0.40) MLYCDMGLLL3MBTL1MEN1ALDH1A1
SCHEMBL3087208 0.95 MLYCD (0.40) MLYCDMGLLL3MBTL1MEN1ALDH1A1
SCHEMBL3096274 0.95 MLYCD (0.40) MLYCDMGLLL3MBTL1MEN1ALDH1A1
SCHEMBL27978002 0.90 MLYCD (0.37) MLYCDMGLLL3MBTL1SMN1; SMN2
SCHEMBL27977983 0.90 MLYCD (0.37) MLYCDMGLLL3MBTL1SMN1; SMN2
SCHEMBL4428556 0.86 ACHE (0.37) MLYCDMGLLALDH1A1
SCHEMBL4418446 0.86 ACHE (0.37) MLYCDMGLLALDH1A1
SCHEMBL4424007 0.85 DRD2 (0.34) MLYCDMGLLALDH1A1MAPTSMN1; SMN2
SCHEMBL4417749 0.85 MLYCD (0.34) MLYCDMGLLEPHX1MEN1ALDH1A1

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