SCHEMBL16696463

SCHEMBL16696463

Cc1cccc(COC(=O)Nc2c(C)noc2-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 10/20 0.62
ABCC3 O15438 1/20 0.62
ABCC4 O15439 1/20 0.62
ABCB11 O95342 1/20 0.62
CYP2C8 P10632 1/20 0.62
CYP2C9 P11712 1/20 0.62
ABCB4 P21439 1/20 0.62
ABCC2 Q92887 1/20 0.62
SLCO1B3 Q9NPD5 1/20 0.62
SLCO1B1 Q9Y6L6 1/20 0.62
LPAR3 Q9UBY5 4/20 0.42
LPAR2 Q9HBW0 2/20 0.42
SCN9A Q15858 1/20 0.40
MGLL Q99685 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
ENPP2 Q13822 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL16685291 0.92 LPAR1 (0.61) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL18058600 0.92 LPAR1 (0.61) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL343594 0.92 LPAR1 (0.69) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL16687266 0.91 LPAR1 (0.60) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL20216067 0.91 LPAR1 (0.60) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL16685246 0.91 LPAR1 (0.62) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2636093 0.91 LPAR1 (0.60) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2636366 0.86 LPAR1 (0.60) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL16687134 0.86 LPAR1 (0.54) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2761479 0.85 LPAR1 (0.69) 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
US-9987381-B2 Radioligands for imaging the LPA-1 receptor BRISTOL-MYERS SQUIBB COMPANY (US) 2018-06-05 US disclosed
WO-2015066456-A1 RADIOLIGANDS FOR IMAGING THE LPA-1 RECEPTOR BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-07 WO disclosed