SCHEMBL5564617

SCHEMBL5564617

CC(C)CCCCCC(C(=O)OC#N)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RARB P10826 1/20 0.35
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7916436 0.79 PTGS2 (0.47) CES2CES1
SCHEMBL6475627 0.77 CES2 (0.44) LMNAALDH1A1MAPK1CES2CES1
SCHEMBL8606148 0.75 LMNA (0.40) LMNAALDH1A1MAPK1CES2CES1
SCHEMBL11866525 0.73 ALDH1A1 (0.58) LMNAALDH1A1MAPK1CES2CES1
SCHEMBL5699545 0.72 ALDH1A1 (0.52) LMNAALDH1A1MAPK1L3MBTL1MAPT
SCHEMBL9654433 0.72 ALDH1A1 (0.58) LMNAALDH1A1MAPK1MAPTTDP1
SCHEMBL78385 0.72 ALDH1A1 (0.58) LMNAALDH1A1MAPK1MAPTTDP1
SCHEMBL31351853 0.72 CES2 (0.68) LMNAALDH1A1CES2CES1L3MBTL1
SCHEMBL17867451 0.72 L3MBTL1 (0.71) LMNAL3MBTL1MAPTTDP1KMT2A
SCHEMBL1122004 0.72 L3MBTL1 (0.71) LMNAL3MBTL1MAPTTDP1KMT2A

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
US-20070093576-A1 Reinforced coatings with improved scratch resistance CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-04-26 US disclosed
EP-1575895-A1 PHENOLIC ANTIOXIDANTS IN CRYSTALLINE FORM Ciba SC Holding AG (CH) 2005-09-21 EP disclosed
EP-1532196-A1 METHOD OF PRODUCING COLOURED PLASTICS OR POLYMERIC COLOUR PARTICLES Ciba SC Holding AG (CH) 2005-05-25 EP disclosed
WO-2004048312-A1 PHENOLIC ANTIOXIDANTS IN CRYSTALLINE FORM CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-06-10 WO disclosed
WO-2004020505-A1 METHOD OF PRODUCING COLOURED PLASTICS OR POLYMERIC COLOUR PARTICLES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2004-03-11 WO disclosed