SCHEMBL14647

SCHEMBL14647

CCOC(=O)C(C)C(C)c1ccc(-c2ccc(-c3onc(C)c3[C@@H](O)COCc3ccccc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.38
LPAR3 Q9UBY5 2/20 0.35
ABCC3 O15438 1/20 0.35
ABCC4 O15439 1/20 0.35
ABCB11 O95342 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
ABCB4 P21439 1/20 0.35
ABCC2 Q92887 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
LMNA P02545 1/20 0.34
MME P08473 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
ALDH1A1 P00352 2/20 0.34
FFAR1 O14842 1/20 0.33
SLC26A6 Q9BXS9 2/20 0.33
CNR1 P21554 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL14602 0.92 LPAR1 (0.40) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL1786 0.83 ABCC3 (0.43) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL1245 0.83 ABCC3 (0.43) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL1924 0.79 AR (0.38) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL1908 0.79 AR (0.38) LPAR1LPAR3ABCC3ABCC4ABCB11
SCHEMBL14654 0.79 MAPT (0.35) LPAR1FFAR1
SCHEMBL13719865 0.79 MAPT (0.35) LPAR1FFAR1
SCHEMBL6497 0.79 MAPT (0.35) LPAR1FFAR1
SCHEMBL6540 0.79 MAPT (0.35) LPAR1FFAR1
SCHEMBL2059 0.79 LPAR1 (0.52) LPAR1LPAR3ABCC3ABCC4ABCB11

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