SCHEMBL4422471

SCHEMBL4422471

CC(C)(O)C(=O)c1ccc(C(NCCCN)c2ccc(C(=O)C(C)(C)O)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.39
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
MTOR P42345 1/20 0.33
RAB9A P51151 1/20 0.33
GRM7 Q14831 1/20 0.33
BRD4 O60885 2/20 0.32
MLYCD O95822 2/20 0.32
CHEK1 O14757 1/20 0.32
FLT3 P36888 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 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
SCHEMBL4428571 0.94 OPRD1 (0.38) OPRD1ALDH1A1LMNAHSD17B10POLB
SCHEMBL4428582 0.91 OPRD1 (0.40) OPRD1ALDH1A1LMNAHSD17B10MTOR
SCHEMBL4413080 0.87 ALDH1A1 (0.46) OPRD1ALDH1A1LMNAHSD17B10POLB
SCHEMBL4418000 0.87 ALDH1A1 (0.50) OPRD1ALDH1A1LMNAHSD17B10POLB
SCHEMBL4424497 0.86 ALDH1A1 (0.46) OPRD1ALDH1A1LMNAHSD17B10POLB
SCHEMBL4417629 0.84 MLYCD (0.47) OPRD1ALDH1A1LMNAPOLBMAPT
SCHEMBL4416154 0.84 ALDH1A1 (0.39) OPRD1ALDH1A1LMNAHSD17B10MTOR
SCHEMBL4420959 0.83 OPRD1 (0.36) OPRD1AKT1
SCHEMBL4413140 0.80 OPRD1 (0.43) OPRD1MLYCDCYP3A4TSHR
SCHEMBL4418809 0.80 ALDH1A1 (0.40) OPRD1ALDH1A1POLBMAPTRAB9A

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