SCHEMBL2259

SCHEMBL2259

Cc1noc(-c2ccc(Br)cc2)c1C(CO)OCc1cccc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
ANO1 Q5XXA6 1/20 0.37
SLC2A1 P11166 1/20 0.36
PTGER1 P34995 2/20 0.36
IDO1 P14902 2/20 0.36
BRD4 O60885 2/20 0.36
SLC6A4 P31645 2/20 0.36
NR1H4 Q96RI1 1/20 0.35
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
PRKCA P17252 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
SCHEMBL1925 0.85 LPAR1 (0.36) LMNABRD4NR1H4
SCHEMBL1909 0.85 LPAR1 (0.36) LMNABRD4NR1H4
SCHEMBL17265469 0.84 NR1H4 (0.37) LMNAANO1SLC2A1PTGER1IDO1
SCHEMBL2258 0.83 LMNA (0.37) LMNAANO1SLC2A1PTGER1IDO1
SCHEMBL1627 0.81 EPHX1 (0.41) LMNABRD4HDAC3HDAC1HDAC2
SCHEMBL1307 0.81 EPHX1 (0.41) LMNABRD4HDAC3HDAC1HDAC2
SCHEMBL1626 0.77 LMNA (0.37) LMNABRD4HDAC3HDAC1HDAC2
SCHEMBL1306 0.77 LMNA (0.37) LMNABRD4HDAC3HDAC1HDAC2
SCHEMBL1060 0.77 LPAR1 (0.35) LMNABRD4NR1H4
SCHEMBL1230 0.77 LPAR1 (0.35) LMNABRD4NR1H4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483253-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041729-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed