SCHEMBL7339

SCHEMBL7339

CCN(C(=O)CCc1c(C)noc1-c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1)c1ccccc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.45
ABCC3 O15438 1/20 0.45
ABCC4 O15439 1/20 0.45
ABCB11 O95342 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2C9 P11712 1/20 0.45
ABCB4 P21439 1/20 0.45
ABCC2 Q92887 1/20 0.45
SLCO1B3 Q9NPD5 1/20 0.45
SLCO1B1 Q9Y6L6 1/20 0.45
LMNA P02545 4/20 0.42
HPGD P15428 3/20 0.42
TSHR P16473 3/20 0.42
HTT P42858 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
MAPT P10636 2/20 0.39

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
SCHEMBL7288 0.91 TSHR (0.41) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6288 0.90 ABCC3 (0.47) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6149 0.83 LPAR1 (0.48) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7338 0.82 ABCC3 (0.41) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7228 0.82 LPAR1 (0.48) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6601 0.81 LPAR1 (0.48) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL4934 0.80 LPAR1 (0.46) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7652 0.80 LPAR1 (0.54) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL14518 0.80 LPAR1 (0.54) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7227 0.80 LPAR1 (0.54) LPAR1ABCC3ABCC4ABCB11CYP2C8

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