SCHEMBL6024

SCHEMBL6024

CCOC(=O)Cc1ccc(-c2ccc(-c3onc(C)c3CCCC(O)c3ccccc3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.46
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 5/20 0.40
LPAR3 Q9UBY5 2/20 0.40
LPAR2 Q9HBW0 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
S1PR1 P21453 3/20 0.38
ALOX15 P16050 1/20 0.37
CRHBP P24387 1/20 0.37
HTT P42858 1/20 0.37
CRHR2 Q13324 1/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL6779 0.91 LPAR1 (0.42) LPAR1ALDH1A1L3MBTL1LPAR3PPARG
SCHEMBL7481 0.89 LPAR1 (0.55) LPAR1ALDH1A1GAAL3MBTL1LPAR3
SCHEMBL6023 0.84 LPAR1 (0.42) LPAR1ALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL6581 0.84 CHRM1 (0.40) LPAR1ALDH1A1L3MBTL1LPAR3PPARG
SCHEMBL6889 0.84 FFAR1 (0.46) LPAR1ALDH1A1L3MBTL1LPAR3LPAR2
SCHEMBL7143 0.83 LPAR1 (0.41) LPAR1ALDH1A1GAAL3MBTL1LPAR3
SCHEMBL1841 0.81 ABCC3 (0.48) LPAR1ALDH1A1L3MBTL1TSHR
SCHEMBL6482 0.81 LPAR1 (0.41) LPAR1ALDH1A1GAAL3MBTL1LPAR3
SCHEMBL18597759 0.80 LPAR1 (0.42) LPAR1ALDH1A1SMN1; SMN2L3MBTL1LPAR3
SCHEMBL7190 0.80 LPAR1 (0.40) LPAR1ALDH1A1SMN1; SMN2L3MBTL1LPAR3

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
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed