SCHEMBL1406401

SCHEMBL1406401

CC(=O)CC(=O)OCC1(CO)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
PRKCA P17252 4/20 0.33
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
CYP3A4 P08684 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
BLM P54132 1/20 0.31
CACNA2D1 P54289 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL649542 0.91 MGAM (0.46) MGAMGAASIMGAM2CYP3A4
SCHEMBL7186589 0.82 LMNA (0.34) PRKCAJAK2JAK1TYK2JAK3
SCHEMBL8444652 0.79 PRKCA (0.45) PRKCAALDH1A1
SCHEMBL6022632 0.77 MGAM (0.43) MGAMGAASIMGAM2CYP3A4
SCHEMBL11437280 0.76 LMNA (0.45) PRKCASMN1; SMN2USP2ALDH1A1LMNA
SCHEMBL151197 0.76 TSHR (0.39) SMN1; SMN2USP2ALDH1A1LMNACYP1A2
SCHEMBL159727 0.76 TSHR (0.39) SMN1; SMN2USP2ALDH1A1LMNACYP1A2
SCHEMBL14482197 0.76 TSHR (0.39) SMN1; SMN2USP2ALDH1A1LMNACYP1A2
SCHEMBL10521389 0.76 TSHR (0.39) SMN1; SMN2USP2ALDH1A1LMNACYP1A2
SCHEMBL5884497 0.76 TSHR (0.39) SMN1; SMN2USP2ALDH1A1LMNACYP1A2

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-1490412-B1 PHOTOINITIATOR, NOVEL COMPOUND, AND PHOTOCURABLE COMPOSITION DAINIPPON INK & CHEMICALS (JP) 2011-03-09 EP disclosed
US-7166648-B2 Photoinitiator, novel compound, and photocurable composition DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-01-23 US disclosed
US-20050256218-A1 Photoinitiator, novel compound, and photocurable composition DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-11-17 US disclosed
EP-1490412-A1 PHOTOINITIATOR, NOVEL COMPOUND, AND PHOTOCURABLE COMPOSITION DAINIPPON INK AND CHEMICALS, INC. (JP) 2004-12-29 EP disclosed
WO-2003082929-A1 PHOTOINITIATOR, NOVEL COMPOUND, AND PHOTOCURABLE COMPOSITION DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-10-09 WO disclosed