SCHEMBL13900

SCHEMBL13900

C=CC(=C)S(=O)(=O)NC(=O)Nc1c(C)noc1-c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 15/20 0.54
ABCC3 O15438 1/20 0.54
ABCC4 O15439 1/20 0.54
ABCB11 O95342 1/20 0.54
CYP2C8 P10632 1/20 0.54
CYP2C9 P11712 1/20 0.54
ABCB4 P21439 1/20 0.54
ABCC2 Q92887 1/20 0.54
SLCO1B3 Q9NPD5 1/20 0.54
SLCO1B1 Q9Y6L6 1/20 0.54
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
LPAR3 Q9UBY5 3/20 0.35
HRH1 P35367 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
TET3 O43151 1/20 0.31
KMT2A Q03164 1/20 0.31
FBXL19 Q6PCT2 1/20 0.31
CXXC5 Q7LFL8 1/20 0.31
TET1 Q8NFU7 1/20 0.31

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
SCHEMBL7404 0.82 LPAR1 (0.61) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL10560 0.79 LPAR1 (0.61) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2761256 0.77 LPAR1 (0.73) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL18597706 0.77 LPAR1 (0.63) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL8070 0.76 LPAR1 (0.64) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL18746088 0.76 LPAR1 (0.52) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6508 0.76 LPAR1 (0.58) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6243 0.75 LPAR1 (0.65) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL5994 0.75 LPAR1 (0.72) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL18597813 0.75 LPAR1 (0.61) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed