SCHEMBL4418642

SCHEMBL4418642

COCCN(CCOC)C(C)(C)C(=O)c1ccc(C(OC)c2ccc(C(=O)C(C)(C)N(CCOC)CCOC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.43
HDAC4 P56524 1/20 0.34
ALDH1A1 P00352 4/20 0.33
HTT P42858 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 2/20 0.33
UTS2R Q9UKP6 4/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NAMPT P43490 1/20 0.32
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
TSHR P16473 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
SCHEMBL4421870 0.87 MLYCD (0.44) MLYCDHDAC4ALDH1A1HTTRAB9A
SCHEMBL4423584 0.84 MLYCD (0.35) MLYCDHPGDTSHR
SCHEMBL9681281 0.81 CA1 (0.47) MLYCDHDAC4ALDH1A1RAB9AMEN1
SCHEMBL10384876 0.81 MLYCD (0.46) MLYCDALDH1A1RAB9AHPGDKDM4E
SCHEMBL10384259 0.80 CES1 (0.45) MLYCDHPGDMEN1KMT2AMAPT
SCHEMBL4425679 0.80 ALDH1A1 (0.34) MLYCDALDH1A1HTTUTS2RMEN1
SCHEMBL9681301 0.79 MLYCD (0.45) MLYCDHDAC4ALDH1A1HTTRAB9A
SCHEMBL9681018 0.79 ALDH1A1 (0.50) MLYCDHDAC4ALDH1A1HTTRAB9A
SCHEMBL725631 0.78 MLYCD (0.44) MLYCDHDAC4ALDH1A1HTTKDM4E
SCHEMBL9679833 0.78 PPARA (0.45) MLYCDALDH1A1RAB9AHPGDMAPT

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