SCHEMBL3702178

SCHEMBL3702178

CCOC(=O)Cc1ccc(-c2ccc(-c3onc(C)c3NC(=O)OCCc3ccccc3Cl)nc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.49
LPAR3 Q9UBY5 3/20 0.49
LPAR2 Q9HBW0 2/20 0.49
SCN9A Q15858 3/20 0.39
SCN5A Q14524 2/20 0.39
NLRP3 Q96P20 2/20 0.37
SLC26A6 Q9BXS9 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HIF1A Q16665 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
THRB P10828 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
P2RX7 Q99572 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 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
SCHEMBL3712501 0.92 LPAR1 (0.59) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL2339547 0.91 LPAR1 (0.56) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3707585 0.88 LPAR1 (0.53) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3709587 0.87 LPAR1 (0.51) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3713550 0.86 LPAR1 (0.50) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL2340278 0.86 LPAR1 (0.48) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3714447 0.86 LPAR1 (0.51) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3704739 0.85 LPAR1 (0.42) LPAR1LPAR3LPAR2NLRP3SLC26A6
SCHEMBL13283819 0.85 LPAR1 (0.70) LPAR1LPAR3LPAR2ALDH1A1THRB
SCHEMBL2336641 0.85 LPAR1 (0.57) LPAR1LPAR3LPAR2SCN9ASCN5A

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