SCHEMBL19132995

SCHEMBL19132995

C/C(CC(=O)O)=C(\C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.44
SRR Q9GZT4 1/20 0.44
FFAR3 O14843 3/20 0.35
LMNA P02545 2/20 0.35
SLC15A2 Q16348 1/20 0.35
KDM4E B2RXH2 2/20 0.35
EGLN1 Q9GZT9 2/20 0.35
TSHR P16473 1/20 0.35
KDM6B O15054 1/20 0.35
KDM5C P41229 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
CTH P32929 1/20 0.33
THRB P10828 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
ALOX15 P16050 1/20 0.32

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
SCHEMBL102551 1.00 LDHA (0.44) LDHASRRFFAR3LMNASLC15A2
SCHEMBL102549 1.00 LDHA (0.44) LDHASRRFFAR3LMNASLC15A2
Malonic Acid SCHEMBL3867313 0.81 LDHA (0.45) LDHASRRFFAR3LMNASLC15A2
SCHEMBL6647501 0.81 LDHA (0.57) LDHASRRFFAR3LMNASLC15A2
SCHEMBL6647502 0.81 LDHA (0.57) LDHASRRFFAR3LMNASLC15A2
SCHEMBL7709330 0.77 LDHA (0.44) LDHASRRFFAR3LMNASLC15A2
SCHEMBL11348969 0.76 THRB (0.30) THRBFNTAFNTBPGGT1B
SCHEMBL11348965 0.76 THRB (0.30) THRBFNTAFNTBPGGT1B
SCHEMBL3614641 0.75
SCHEMBL811388 0.74 LMNA (0.52) FFAR3LMNASLC15A2KDM4EEGLN1

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-9708331-B2 Metabotrophic glutamate receptor 5 modulators and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2017-07-18 US disclosed