SCHEMBL6871

SCHEMBL6871

CCOC(=O)Cc1ccc(-c2ccc(-c3onc(C)c3CC(O)SCc3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.40
SYK P43405 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
THRB P10828 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
DHFR P00374 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL7428 0.92 EPHX1 (0.40) EPHX1SYKMEN1KMT2AALDH1A1
SCHEMBL6585 0.90 EPHX1 (0.42) EPHX1
SCHEMBL6707 0.87 LPAR1 (0.41) ALDH1A1THRBHTT
SCHEMBL6660 0.86 SYK (0.41) SYKMEN1KMT2AALDH1A1THRB
SCHEMBL1679 0.85 EPHX1 (0.39) EPHX1MEN1KMT2AALDH1A1MAPT
SCHEMBL7136 0.85 FFAR1 (0.43) EPHX1THRB
SCHEMBL6870 0.82 SYK (0.40) EPHX1SYKMEN1KMT2AALDH1A1
SCHEMBL2285 0.82 LPAR1 (0.41) EPHX1
SCHEMBL7741 0.79 CYP4F2 (0.39) ALDH1A1HPGD
SCHEMBL6869 0.78 SYK (0.41) SYKMEN1KMT2AALDH1A1MAPT

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