SCHEMBL6801

SCHEMBL6801

Cc1noc(-c2ccc(-c3ccc(C(=O)CCC(=O)O)cc3)cc2)c1CCCC(O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
FFAR1 O14842 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
RAB9A P51151 1/20 0.46
HIF1A Q16665 1/20 0.46
S1PR1 P21453 6/20 0.43
S1PR3 Q99500 3/20 0.43
LPAR1 Q92633 2/20 0.39
FFAR4 Q5NUL3 2/20 0.39
USP5 P45974 1/20 0.39
KMT2A Q03164 1/20 0.39
NR4A2 P43354 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
SLC6A9 P48067 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36
GAA P10253 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL6356 0.90 LPAR1 (0.39) SMN1; SMN2FFAR1LMNACYP1A2RAB9A
SCHEMBL6889 0.88 FFAR1 (0.46) FFAR1S1PR1S1PR3LPAR1FFAR4
SCHEMBL7481 0.84 LPAR1 (0.55) LMNAS1PR1S1PR3LPAR1FFAR4
SCHEMBL7242 0.83 LIPG (0.44) FFAR1S1PR1S1PR3LPAR1FFAR4
SCHEMBL6800 0.83 RAB9A (0.45) SMN1; SMN2FFAR1LMNACYP1A2RAB9A
SCHEMBL6549 0.83 FFAR4 (0.45) FFAR1S1PR1S1PR3LPAR1FFAR4
SCHEMBL6779 0.79 LPAR1 (0.42) S1PR1S1PR3LPAR1FFAR4L3MBTL1
SCHEMBL6861 0.79 LPAR1 (0.42) SMN1; SMN2S1PR1S1PR3LPAR1FFAR4
SCHEMBL7250 0.79 PPARG (0.46) S1PR1S1PR3LPAR1L3MBTL1ALDH1A1
SCHEMBL1597 0.79 LPAR1 (0.56) SMN1; SMN2S1PR1S1PR3LPAR1L3MBTL1

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