SCHEMBL10180681

SCHEMBL10180681

O=C(O)c1ccc(-c2ccc(CNC(=O)c3cc(Cl)ccc3OCc3ccc(F)cc3)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 6/20 0.73
PTGER2 P43116 3/20 0.60
LMNA P02545 2/20 0.59
MAPT P10636 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MRGPRX4 Q96LA9 1/20 0.55
KMT2A Q03164 1/20 0.54
PTGER1 P34995 4/20 0.53
SGMS2 Q8NHU3 1/20 0.50
AKR1C3 P42330 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PPARA Q07869 1/20 0.48
LRRK2 Q5S007 1/20 0.48
PYGL P06737 1/20 0.47
NR4A2 P43354 1/20 0.47

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
SCHEMBL2242766 0.90 PTGER4 (0.66) PTGER4PTGER2LMNAMAPTL3MBTL1
SCHEMBL1153664 0.90 PTGER4 (0.59) PTGER4PTGER2LMNAMAPTL3MBTL1
SCHEMBL4013417 0.88 PTGER4 (0.76) PTGER4PTGER2LMNAMAPTL3MBTL1
SCHEMBL13770803 0.88 PTGER4 (0.66) PTGER4PTGER2LMNAMAPTL3MBTL1
SCHEMBL4456806 0.84 PTGER4 (1.00) PTGER4PTGER2LMNAL3MBTL1KMT2A
SCHEMBL22319397 0.83 PTGER4 (0.85) PTGER4PTGER2LMNAL3MBTL1ALDH1A1
SCHEMBL4014358 0.82 PTGER4 (0.67) PTGER4PTGER2LMNAL3MBTL1MRGPRX4
SCHEMBL1154192 0.81 DNMT3A (0.53) PTGER4MRGPRX4PTGER1AKR1C3
SCHEMBL1154081 0.81 AKR1C3 (0.52) PTGER4PTGER2MRGPRX4KMT2APTGER1
SCHEMBL4014415 0.80 PTGER4 (0.64) PTGER4PTGER2LMNAMAPTL3MBTL1

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-2215065-B1 CCR10 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2012-07-11 EP disclosed