SCHEMBL8667918

SCHEMBL8667918

CCCCCC(=O)OCC.CCCCOOCCCC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.64
CYP1A2 P05177 1/20 0.53
PAM P19021 2/20 0.53
DNM1 Q05193 1/20 0.53
TSHR P16473 2/20 0.50
MAPT P10636 1/20 0.50
LMNA P02545 4/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.47
DUSP3 P51452 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
PRKCA P17252 1/20 0.45
PRKCE Q02156 1/20 0.45
PRKCQ Q04759 1/20 0.45
PRKCD Q05655 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL27759660 0.96 DGKA (0.64) DGKACYP1A2PAMDNM1TSHR
SCHEMBL27491913 0.94 DGKA (0.68) DGKACYP1A2PAMDNM1TSHR
SCHEMBL2457203 0.92 DGKA (0.75) DGKACYP1A2PAMDNM1TSHR
Hexane SCHEMBL27301340 0.89 DGKA (0.71) DGKACYP1A2PAMDNM1TSHR
SCHEMBL31352662 0.89 DGKA (0.71) DGKACYP1A2PAMDNM1TSHR
SCHEMBL37297 0.89 DGKA (0.71) DGKACYP1A2PAMDNM1TSHR
Ethyl Tetradecanoate SCHEMBL9210318 0.88 DGKA (0.77) DGKACYP1A2PAMDNM1TSHR
SCHEMBL10778078 0.88 DGKA (0.77) DGKACYP1A2PAMDNM1TSHR
SCHEMBL5268689 0.88 DGKA (0.69) DGKACYP1A2PAMDNM1TSHR
Hexane SCHEMBL2349171 0.87 DGKA (0.75) DGKACYP1A2PAMDNM1TSHR

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
CN-1204194-C Free radical polymerized resin composite NIPPON CATALYTIC CHEM IND (JP) 2005-06-01 CN disclosed
CN-1400246-A Free radical polymerized resin composite NIPPON CATALYTIC CHEM IND (JP) 2003-03-05 CN disclosed
EP-0619277-B1 Cement dispersant composition for inhibition of slump-loss GRACE W R & CO (US) 1998-12-23 EP disclosed
EP-0619277-A1 Cement dispersant composition for inhibition of slump-loss W.R. GRACE & CO.-CONN. (US) 1994-10-12 EP disclosed
US-4456730-A Polymer modified polyamines and a process for their preparation BAYER AKTIENGESELLSCHAFT (DE) 1984-06-26 US disclosed