SCHEMBL3711037

SCHEMBL3711037

CCOC(=O)N(c1ccccc1Cl)c1c(C)noc1-c1cccc(-c2ccccc2CC(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.39
PTGER4 P35408 2/20 0.39
PTGER3 P43115 2/20 0.39
PTGER2 P43116 2/20 0.39
PPARD Q03181 4/20 0.37
ENPP2 Q13822 1/20 0.36
CYP2D6 P10635 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CHRM3 P20309 1/20 0.35
KCNH2 Q12809 1/20 0.35
GPBAR1 Q8TDU6 2/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL3704850 0.93 GPBAR1 (0.34) PPARDCYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL2342592 0.92 LPAR1 (0.39) PPARDCYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL3711309 0.88 FTO (0.36) GPBAR1ALDH1A1HPGDTSHR
SCHEMBL3708660 0.88 LPAR1 (0.40) PPARDENPP2LPAR1LPAR2LPAR3
SCHEMBL3707177 0.88 LPAR1 (0.34) PPARDLPAR1LPAR2LPAR3ALDH1A1
SCHEMBL3714465 0.87 LPAR1 (0.45) PPARDENPP2LPAR1LPAR2LPAR3
SCHEMBL3712288 0.87 PPARD (0.39) PPARDLPAR1LPAR2LPAR3
SCHEMBL3709239 0.86 PPARD (0.46) PPARDLPAR1LPAR2LPAR3MAPT
SCHEMBL3707320 0.85 CTSA (0.38) PPARDLPAR1LPAR2LPAR3
SCHEMBL3709682 0.85 FTO (0.39) SLC6A2SLC6A4SLC6A3GPBAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO claimed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed