SCHEMBL2791850

SCHEMBL2791850

O=C(OC1CCCCCCCCC1)C(CO)=C(C1CCCCCCCCC1)C1CCCCCCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.40
CYP2C19 P33261 1/20 0.38
NAAA Q02083 2/20 0.37
HTT P42858 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP19A1 P11511 2/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
HSD11B1 P28845 1/20 0.32
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
GPR35 Q9HC97 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
Acrylamide SCHEMBL8396889 0.88 EPHX1 (0.33) EPHX1CYP2C19NAAAHTTALDH1A1
SCHEMBL28341222 0.87 EPHX1 (0.43) EPHX1CYP2C19NAAAHTTSMN1; SMN2
SCHEMBL28558599 0.77 NAAA (0.39) EPHX1CYP2C19NAAAHTTSMN1; SMN2
SCHEMBL352563 0.76 EPHX1 (0.33) EPHX1CYP2C19NAAAHTTMAPT
SCHEMBL8396981 0.76 EPHX1 (0.41) EPHX1CYP2C19NAAAHTTCES2
SCHEMBL4950829 0.76 EPHX1 (0.41) EPHX1CYP2C19NAAAHTTCES2
SCHEMBL7256867 0.76 EPHX1 (0.41) EPHX1CYP2C19NAAAHTTCES2
SCHEMBL27705259 0.75 EPHX1 (0.46) EPHX1CYP2C19NAAAHTTSMN1; SMN2
SCHEMBL1319366 0.74 EPHX1 (0.42) EPHX1CYP2C19NAAAHTTCES2
SCHEMBL14777044 0.74 EPHX1 (0.42) EPHX1CYP2C19NAAAHTTCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100168355-A1 ACRYLIC COPOLYMERS WITH HIGH HEAT-RESISTANCE AND PREPARATION THEREOF INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2010-07-01 US disclosed