SCHEMBL10328638

SCHEMBL10328638

O=C(O)c1cc(=O)c(OCCF)co1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
LMNA P02545 1/20 0.35
GPR35 Q9HC97 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
APP P05067 1/20 0.33
LDHA P00338 1/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
PDE5A O76074 2/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 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
SCHEMBL10328642 0.92 PTGER4 (0.37) PTGER4KMT2AMEN1RAB9ANPC1
SCHEMBL6900481 0.83 MEN1 (0.42) PTGER4KMT2AMEN1GPR35TDP1
SCHEMBL10328605 0.82 MEN1 (0.48) KMT2AMEN1TDP1ELANE
SCHEMBL10328548 0.81 MEN1 (0.50) KMT2AMEN1TDP1ELANE
SCHEMBL10494168 0.81 MEN1 (0.50) KMT2AMEN1TDP1ELANE
SCHEMBL13323728 0.80 ALDH1A1 (0.38) PTGER4KMT2AMEN1RAB9ANPC1
SCHEMBL10328645 0.78 LMNA (0.43) PTGER4RAB9ANPC1CYP1A2CYP2C19
SCHEMBL1037140 0.77 PTGER4 (0.52) PTGER4KMT2AMEN1RAB9ANPC1
SCHEMBL10328599 0.77 GAA (0.44) PTGER4KMT2AMEN1RAB9ANPC1
SCHEMBL10328594 0.77 MEN1 (0.50) PTGER4KMT2AMEN1RAB9ANPC1

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
EP-2120923-B1 USE OF SUBSTITUTED PYRANONE ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC SYNDROME SANOFI SA (FR) 2012-07-18 EP disclosed