SCHEMBL18597889

SCHEMBL18597889

Cc1noc(-c2ccc(-c3ccc(C4(C5OC5O)CC4)cc3)cc2)c1NC(C)CCc1ccccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.39
ABCC3 O15438 1/20 0.39
ABCC4 O15439 1/20 0.39
ABCB11 O95342 1/20 0.39
CYP2C8 P10632 1/20 0.39
CYP2C9 P11712 1/20 0.39
ABCB4 P21439 1/20 0.39
ABCC2 Q92887 1/20 0.39
SLCO1B3 Q9NPD5 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39
LPAR3 Q9UBY5 3/20 0.38
LPAR2 Q9HBW0 2/20 0.38
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 2/20 0.32
P2RX7 Q99572 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
SCHEMBL2437 0.83 LPAR1 (0.58) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL14763 0.82 LPAR1 (0.45) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7578 0.80 LPAR1 (0.49) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL14680 0.79 LPAR1 (0.42) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2194 0.79 LPAR1 (0.43) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL14569 0.73 LPAR1 (0.61) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2005 0.71 LPAR1 (0.54) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL14660 0.71 LPAR1 (0.52) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL18597724 0.71 LPAR1 (0.36) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7402 0.71 LPAR1 (0.53) 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
EP-2483252-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed