SCHEMBL3701865

SCHEMBL3701865

COC(=O)C(C)(C)c1ccc(-c2ccc(-c3onc(C)c3NC(=O)OCCc3ccccc3F)cc2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.38
LPAR3 Q9UBY5 3/20 0.38
MAPT P10636 2/20 0.36
LPAR2 Q9HBW0 2/20 0.35
ABCC3 O15438 1/20 0.34
ABCC4 O15439 1/20 0.34
ABCB11 O95342 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
ABCB4 P21439 1/20 0.34
ABCC2 Q92887 1/20 0.34
SLCO1B3 Q9NPD5 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
KDM4E B2RXH2 2/20 0.33
DGAT1 O75907 3/20 0.32
SMURF1 Q9HCE7 1/20 0.32
HIF1A Q16665 1/20 0.32
PTGER4 P35408 2/20 0.32
SLC26A6 Q9BXS9 1/20 0.31
MEN1 O00255 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
SCHEMBL3707327 0.93 LPAR1 (0.40) LPAR1LPAR3MAPTLPAR2ABCC3
SCHEMBL2335137 0.86 LPAR1 (0.42) LPAR1LPAR3MAPTLPAR2ABCC3
SCHEMBL2338973 0.84 LPAR1 (0.45) LPAR1LPAR3MAPTLPAR2ABCC3
SCHEMBL13283695 0.82 LPAR1 (0.50) LPAR1LPAR3MAPTLPAR2ABCC3
SCHEMBL3705536 0.82 LPAR1 (0.51) LPAR1LPAR3MAPTLPAR2ABCC3
SCHEMBL3704739 0.81 LPAR1 (0.42) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL1247620 0.81 NTRK1 (0.41) MAPTSCN5ASCN9A
SCHEMBL2335998 0.80 LPAR1 (0.48) LPAR1LPAR3MAPTLPAR2ABCC3
SCHEMBL3705461 0.80 LPAR1 (0.40) LPAR1LPAR3LPAR2KDM4EHIF1A
SCHEMBL3703083 0.79 LPAR1 (0.47) LPAR1LPAR3LPAR2ABCC3ABCC4

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-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed