SCHEMBL3717698

SCHEMBL3717698

CCOC(=O)N(c1ccccc1Cl)c1c(C)noc1-c1ccc(Oc2cccc(CC(=O)OC)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 5/20 0.38
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
PTGS2 P35354 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CCR8 P51685 1/20 0.33
SLC26A6 Q9BXS9 1/20 0.33
BACE1 P56817 1/20 0.33
ALOX15 P16050 1/20 0.33
CRHBP P24387 1/20 0.33
HTT P42858 1/20 0.33
CRHR2 Q13324 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3702549 0.92 LPAR1 (0.39) P2RX3PTGS2LPAR1LPAR2LPAR3
SCHEMBL3705375 0.91 TP53 (0.37) P2RX3PTGS2KDM4EALDH1A1HPGD
SCHEMBL3700510 0.89 LPAR1 (0.36) LPAR1LPAR2LPAR3KDM4EALDH1A1
SCHEMBL3714445 0.88 LPAR1 (0.38) LPAR1LPAR2LPAR3KDM4EALDH1A1
SCHEMBL2336634 0.88 LPAR1 (0.43) LPAR1LPAR2LPAR3KDM4EALDH1A1
SCHEMBL3708634 0.86 ALDH1A1 (0.42) LPAR1LPAR2LPAR3ALDH1A1L3MBTL1
SCHEMBL2338062 0.85 LPAR1 (0.38) EDNRBEDNRALPAR1LPAR2LPAR3
SCHEMBL3700609 0.84 LPAR1 (0.46) LPAR1LPAR2LPAR3KDM4EALDH1A1
SCHEMBL3707844 0.83 L3MBTL1 (0.38) LPAR1LPAR2LPAR3ALDH1A1SMN1; SMN2
SCHEMBL3712290 0.83 NR3C1 (0.38) P2RX3PTGS2LPAR1KDM4EALDH1A1

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