SCHEMBL6661

SCHEMBL6661

CCOC(=O)Cc1ccccc1-c1ccc(-c2onc(C)c2N(C)CCc2ccc(OC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 2/20 0.41
LPAR1 Q92633 2/20 0.39
MAPT P10636 6/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 5/20 0.39
GAA P10253 3/20 0.39
HPGD P15428 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GLA P06280 1/20 0.39
ALOX5 P09917 1/20 0.38
TP53 P04637 3/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPK1 P28482 1/20 0.37
MPI P34949 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
SCHEMBL6296 0.91 LPAR1 (0.48) FFAR1FFAR4LPAR1MAPTHPGD
SCHEMBL7396 0.84 CYP4F2 (0.35) ALDH1A1KDM4EHPGDL3MBTL1HTT
SCHEMBL7683 0.81 CYP4F2 (0.33) ALDH1A1KDM4EHPGDL3MBTL1HTT
SCHEMBL6973 0.79 BRD4 (0.36) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL14677 0.78 LPAR1 (0.42) FFAR1FFAR4LPAR1MAPTALDH1A1
SCHEMBL7201 0.78 CHRM1 (0.42) LPAR1MAPTALDH1A1HTTLMNA
SCHEMBL7532 0.74 ALOX5 (0.35) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL7666 0.74 ABCC3 (0.44) LPAR1ALDH1A1ALOX5KMT2AMEN1
SCHEMBL1800 0.73 CHRM1 (0.41) LPAR1MAPTALDH1A1ALOX5HTT
SCHEMBL12783 0.72 LPAR1 (0.36) FFAR4LPAR1ALDH1A1KMT2AMEN1

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