SCHEMBL1949874

SCHEMBL1949874

C=CC(=O)ONC(=O)C(CC)CCCCCC/C=C\CCCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CNR2 P34972 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
FAAH O00519 4/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
SOAT1 P35610 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A5 Q9Y345 1/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL1955120 1.00 CA1 (0.43) CA1CA2CNR2TRPV1FFAR1
SCHEMBL316780 1.00 CA1 (0.43) CA1CA2CNR2TRPV1FFAR1
SCHEMBL1952392 0.93 CA2 (0.49) CA1CA2FFAR1TSHRHPGD
SCHEMBL317478 0.93 CA2 (0.49) CA1CA2FFAR1TSHRHPGD
SCHEMBL1949635 0.93 CA2 (0.49) CA1CA2FFAR1TSHRHPGD
SCHEMBL317295 0.92 CNR2 (0.41) CNR2TRPV1FFAR1FFAR4FAAH
SCHEMBL1949922 0.92 CNR2 (0.41) CNR2TRPV1FFAR1FFAR4FAAH
SCHEMBL538090 0.89 ALDH1A1 (0.42) TRPV1FFAR1FFAR4MEN1CYP3A4
SCHEMBL1948716 0.89 KDM4E (0.45) CNR2TRPV1SOAT1
SCHEMBL1951438 0.85 TSHR (0.44) CA1CA2FFAR1CYP3A4TSHR

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-20110136975-A1 MONOMER MIXTURE, POLYMER, COATING MEANS AND METHOD FOR PRODUCING A COATING EVONIK ROEHM GMBH (DE) 2011-06-09 US disclosed