SCHEMBL6416

SCHEMBL6416

COC(=O)CCc1cccc(-c2ccc(-c3onc(C)c3CCCC(O)c3ccccc3)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.40
LPAR3 Q9UBY5 2/20 0.39
PTPN1 P18031 2/20 0.38
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
HDAC1 Q13547 1/20 0.36
TP53 P04637 1/20 0.36
LPAR2 Q9HBW0 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
VDR P11473 1/20 0.35
PPARD Q03181 1/20 0.35
SLC6A9 P48067 1/20 0.35
ICMT O60725 1/20 0.35
TSHR P16473 1/20 0.35
FFAR1 O14842 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
LTB4R Q15722 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
SCHEMBL7242 0.91 LIPG (0.44) LPAR1S1PR1S1PR3LIPGPPARD
SCHEMBL6415 0.86 TP53 (0.40) LPAR1PTPN1TP53VDRPPARD
SCHEMBL6356 0.84 LPAR1 (0.39) LPAR1LPAR3S1PR1S1PR3L3MBTL1
SCHEMBL7563 0.84 FFAR4 (0.39) LPAR1LPAR3S1PR1S1PR3L3MBTL1
SCHEMBL6779 0.83 LPAR1 (0.42) LPAR1LPAR3PTPN1S1PR1S1PR3
SCHEMBL6889 0.82 FFAR1 (0.46) LPAR1LPAR3S1PR1S1PR3L3MBTL1
SCHEMBL7175 0.81 LPAR1 (0.38) LPAR1LPAR3S1PR1S1PR3HDAC1
SCHEMBL17265465 0.80 PTPN1 (0.38) LPAR1LPAR3PTPN1TP53LPAR2
SCHEMBL7481 0.79 LPAR1 (0.55) LPAR1LPAR3S1PR1S1PR3L3MBTL1
SCHEMBL6024 0.79 LPAR1 (0.46) LPAR1LPAR3S1PR1S1PR3L3MBTL1

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