SCHEMBL2338544

SCHEMBL2338544

CCOC(=O)Cc1ccc(-c2ccc(-c3onc(C)c3N(C(=O)OCC)c3ccccc3Cl)cc2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
ALOX15 P16050 1/20 0.35
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
CRHR2 Q13324 1/20 0.35
DGAT1 O75907 1/20 0.35
SOAT1 P35610 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NR1H4 Q96RI1 2/20 0.35
LPAR1 Q92633 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34
TP53 P04637 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 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
SCHEMBL2337556 0.94 DGAT1 (0.43) DGAT1SOAT1NR1H4LPAR1LPAR2
SCHEMBL2334024 0.91 L3MBTL1 (0.38) L3MBTL1ALOX15CRHBPHTTCRHR2
SCHEMBL2339543 0.89 LPAR1 (0.42) L3MBTL1ALOX15CRHBPHTTCRHR2
SCHEMBL3709586 0.88 LPAR1 (0.38) L3MBTL1ALOX15CRHBPHTTCRHR2
SCHEMBL3713874 0.88 L3MBTL1 (0.37) L3MBTL1ALOX15CRHBPHTTCRHR2
SCHEMBL2340276 0.88 LPAR1 (0.37) L3MBTL1ALOX15CRHBPHTTCRHR2
SCHEMBL3713548 0.88 LPAR1 (0.37) L3MBTL1ALOX15CRHBPHTTCRHR2
SCHEMBL3707582 0.87 LPAR1 (0.39) L3MBTL1ALOX15CRHBPHTTCRHR2
SCHEMBL2341939 0.87 KDM4E (0.35) L3MBTL1HTTDGAT1SOAT1ALDH1A1
SCHEMBL2335596 0.86 DGAT1 (0.44) DGAT1SOAT1NR1H4LPAR1LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358688-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-08-24 EP disclosed
WO-2010077883-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed