SCHEMBL2890328

SCHEMBL2890328

CCCCCCCCC=CCCCCCCCC(=O)N1CC(C(=O)O)CC1=O.NCCOCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
EPHX2 P34913 1/20 0.40
MAPT P10636 3/20 0.36
CNR1 P21554 2/20 0.36
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
DGKA P23743 1/20 0.36
TERT O14746 3/20 0.36
PTPN1 P18031 3/20 0.36
PPARG P37231 3/20 0.36
PPARD Q03181 3/20 0.36
PPARA Q07869 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
BLM P54132 2/20 0.36
HSD17B10 Q99714 2/20 0.36
FABP4 P15090 2/20 0.36
FAAH O00519 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL1360711 0.87 PPARG (0.47) MAPTALDH1A1TERTPTPN1PPARG
SCHEMBL2890322 0.85 L3MBTL1 (0.39) CNR2TRPV1EPHX2MAPTCNR1
SCHEMBL2890329 0.85 L3MBTL1 (0.39) CNR2TRPV1EPHX2MAPTCNR1
Triethylene Glycol SCHEMBL1361572 0.78 EPHX2 (0.41) CNR2TRPV1EPHX2MAPTTHRB
SCHEMBL14990528 0.78 BRD4 (0.44) CNR2TRPV1MAPTCNR1DGKA
SCHEMBL14990529 0.78 BRD4 (0.44) CNR2TRPV1MAPTCNR1DGKA
Monoethanolamine SCHEMBL2889305 0.74 L3MBTL1 (0.43) MAPTCYP1A2CYP2C19BLMHSD17B10
SCHEMBL3825325 0.74 DGKA (0.45) TRPV1DGKAFAAH
Oleamide SCHEMBL27472352 0.71 FAAH (0.60) CNR2TRPV1EPHX2MAPTCNR1
SCHEMBL3823829 0.71 TSHR (0.44) TRPV1ALDH1A1DGKAFAAHATM

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
US-8349215-B2 Corrosion inhibitors having increased biological degradability and minimized toxicity CLARIANT FINANCE (BVI) LIMITED (VG) 2013-01-08 US disclosed
US-20100283010-A1 Corrosion Inhibitors Having Increased Biological Degradability And Minimized Toxicity CLARIANT FINANCE (BVI) LIMITED (VG) 2010-11-11 US disclosed