SCHEMBL3704465

SCHEMBL3704465

CCOC(=O)Cc1ccccc1OCc1ccc(-c2onc(C)c2N(C(=O)OCC)c2ccccc2Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.36
HPGD P15428 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CFD P00746 2/20 0.35
LPAR1 Q92633 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34
CASP1 P29466 1/20 0.34
PRMT5 O14744 2/20 0.34
ALOX15 P16050 1/20 0.34
CRHBP P24387 1/20 0.34
HTT P42858 1/20 0.34
CRHR2 Q13324 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 2/20 0.33
FFAR4 Q5NUL3 1/20 0.33
ALOX5 P09917 2/20 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
SCHEMBL3707308 0.94 CFD (0.40) HPGDALDH1A1MEN1KMT2ANPSR1
SCHEMBL3706733 0.88 LPAR1 (0.36) HPGDALDH1A1NPSR1LPAR1LPAR2
SCHEMBL2339543 0.87 LPAR1 (0.42) HPGDALDH1A1LPAR1LPAR2LPAR3
SCHEMBL3707582 0.86 LPAR1 (0.39) HPGDALDH1A1LPAR1LPAR2LPAR3
SCHEMBL3714445 0.84 LPAR1 (0.38) TBXAS1HPGDALDH1A1LPAR1LPAR2
SCHEMBL3708634 0.84 ALDH1A1 (0.42) ALDH1A1LPAR1LPAR2LPAR3L3MBTL1
SCHEMBL3702563 0.84 NR1H4 (0.46) LPAR1LPAR2LPAR3ALOX5ALOX5AP
SCHEMBL2342065 0.82 PPARD (0.40) LPAR1LPAR2LPAR3ALOX15CRHBP
SCHEMBL2336634 0.82 LPAR1 (0.43) HPGDALDH1A1LPAR1LPAR2LPAR3
SCHEMBL2341943 0.82 CYP4F2 (0.39) HPGDALDH1A1MEN1KMT2ALPAR1

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