SCHEMBL4416154

SCHEMBL4416154

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
OPRD1 P41143 1/20 0.39
AKT1 P31749 1/20 0.37
RAB9A P51151 2/20 0.35
MTOR P42345 1/20 0.35
GRM7 Q14831 1/20 0.35
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MLYCD O95822 5/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.33
NR1H4 Q96RI1 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
MMP13 P45452 1/20 0.31
CYP4A11 Q02928 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
SCHEMBL4418000 0.91 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10OPRD1AKT1
SCHEMBL4424497 0.90 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10OPRD1RAB9A
SCHEMBL4428582 0.86 OPRD1 (0.40) ALDH1A1LMNAHSD17B10OPRD1AKT1
SCHEMBL4421945 0.85 OPRD1 (0.34) ALDH1A1LMNAHSD17B10OPRD1AKT1
SCHEMBL4413080 0.85 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10OPRD1MLYCD
SCHEMBL4413140 0.84 OPRD1 (0.43) OPRD1CYP3A4TSHRMLYCDNR1H4
SCHEMBL4422471 0.84 OPRD1 (0.39) ALDH1A1LMNAHSD17B10OPRD1AKT1
SCHEMBL4418809 0.84 ALDH1A1 (0.40) ALDH1A1OPRD1RAB9AMLYCDSMN1; SMN2
SCHEMBL4418619 0.84 OPRD1 (0.36) OPRD1RAB9AMTORGRM7CYP3A4
SCHEMBL4417629 0.82 MLYCD (0.47) ALDH1A1LMNAOPRD1CYP3A4ALOX15

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