SCHEMBL7722

SCHEMBL7722

Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1C[C@@H](O)SCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.48
LPAR2 Q9HBW0 2/20 0.45
LPAR3 Q9UBY5 2/20 0.45
ABCC4 O15439 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.41
PTGS1 P23219 1/20 0.41
HTT P42858 1/20 0.41
NR1H4 Q96RI1 4/20 0.37
HSD17B10 Q99714 1/20 0.37
PPARD Q03181 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
DGAT1 O75907 1/20 0.35
AKR1B1 P15121 1/20 0.35
RORC P51449 1/20 0.35
RXRA P19793 1/20 0.34
RXRB P28702 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
SCHEMBL7577 0.90 FFAR1 (0.43) LPAR1LPAR2LPAR3PPARDFFAR1
SCHEMBL6707 0.89 LPAR1 (0.41) LPAR1LPAR2LPAR3LMNAGAA
SCHEMBL6585 0.87 EPHX1 (0.42) LPAR1LPAR2LPAR3NR1H4RXRA
SCHEMBL7741 0.84 CYP4F2 (0.39) LPAR1LPAR2LPAR3L3MBTL1ALDH1A1
SCHEMBL2265 0.83 LPAR1 (0.49) LPAR1LPAR2LPAR3ABCC4NR1H4
SCHEMBL1869 0.83 LPAR1 (0.49) LPAR1LPAR2LPAR3ABCC4NR1H4
SCHEMBL18597994 0.81 LPAR1 (0.48) LPAR1LPAR2LPAR3ABCC4LMNA
SCHEMBL7024 0.80 LPAR1 (0.48) LPAR1LPAR2LPAR3ABCC4LMNA
SCHEMBL1233 0.80 CYP2C9 (0.42) LPAR1ABCC4LMNATSHRALDH1A1
SCHEMBL2337 0.80 CYP2C9 (0.42) LPAR1ABCC4LMNATSHRALDH1A1

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