SCHEMBL9954028

SCHEMBL9954028

CCCCCCCCCCCCCCCCCCCCCCC(=O)OC(O)(O)CCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.53
DGKA P23743 1/20 0.52
MAPT P10636 2/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 2/20 0.47
PAM P19021 2/20 0.47
KDM4E B2RXH2 1/20 0.46
DUSP3 P51452 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
TSHR P16473 2/20 0.44
PRKCA P17252 1/20 0.44
PRKCE Q02156 1/20 0.44
PRKCQ Q04759 1/20 0.44
PRKCD Q05655 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
GPR84 Q9NQS5 1/20 0.43

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
SCHEMBL11619204 0.92 LMNA (0.53) LMNADGKAMAPTMAPK1ALDH1A1
SCHEMBL4650450 0.86 LMNA (0.46) LMNADGKAMAPTMAPK1
SCHEMBL2014240 0.86 DGKA (0.53) LMNADGKAMAPTMAPK1ALDH1A1
SCHEMBL7549027 0.86 DGKA (0.53) LMNADGKAMAPTMAPK1ALDH1A1
SCHEMBL7054538 0.86 DGKA (0.53) LMNADGKAMAPTMAPK1ALDH1A1
SCHEMBL7048641 0.86 DGKA (0.53) LMNADGKAMAPTMAPK1ALDH1A1
SCHEMBL28887008 0.86 LMNA (0.47) LMNADGKAMAPTMAPK1ALDH1A1
SCHEMBL7052204 0.84 DGKA (0.50) LMNADGKAMAPTMAPK1ALDH1A1
SCHEMBL9956270 0.82 DGKA (0.53) LMNADGKAMAPTMAPK1ALDH1A1
SCHEMBL9956013 0.82 DGKA (0.53) LMNADGKAMAPTMAPK1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655511-A1 THERMOPLASTIC ELASTOMER COMPOSITION AND METHOD FOR THE PRODUCTION THEREOF BASF SE (DE) 2013-10-30 EP disclosed
WO-2012084914-A1 THERMOPLASTIC ELASTOMER COMPOSITION AND METHOD FOR THE PRODUCTION THEREOF BASF SE (DE) 2012-06-28 WO disclosed