SCHEMBL7428

SCHEMBL7428

CCOC(=O)CCc1ccc(-c2ccc(-c3onc(C)c3C[C@@H](O)SCc3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.40
SYK P43405 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
THRB P10828 1/20 0.36
EPHX2 P34913 1/20 0.36
FFAR4 Q5NUL3 2/20 0.35
FFAR1 O14842 2/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL6871 0.92 EPHX1 (0.40) EPHX1SYKKMT2AMEN1MAPT
SCHEMBL7136 0.90 FFAR1 (0.43) EPHX1THRBFFAR4FFAR1
SCHEMBL7741 0.88 CYP4F2 (0.39) ALDH1A1HPGDFFAR4TDP1
SCHEMBL6869 0.87 SYK (0.41) SYKKMT2AMEN1MAPTALDH1A1
SCHEMBL18597914 0.86 THRB (0.39) EPHX1SYKKMT2AMEN1MAPT
SCHEMBL6585 0.85 EPHX1 (0.42) EPHX1
SCHEMBL1679 0.84 EPHX1 (0.39) EPHX1KMT2AMEN1MAPTALDH1A1
SCHEMBL7427 0.83 SYK (0.38) EPHX1SYKKMT2AMEN1MAPT
SCHEMBL2285 0.80 LPAR1 (0.41) EPHX1
SCHEMBL6707 0.79 LPAR1 (0.41) ALDH1A1THRBTDP1

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