SCHEMBL3717699

SCHEMBL3717699

COC(=O)Cc1cccc(Oc2ccc(-c3onc(C)c3NC(=O)OCCc3ccccc3Cl)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.45
LPAR3 Q9UBY5 3/20 0.45
LPAR2 Q9HBW0 2/20 0.45
SCN9A Q15858 4/20 0.40
SCN5A Q14524 2/20 0.40
TP53 P04637 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
P2RX3 P56373 2/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
BCHE P06276 1/20 0.34
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

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
SCHEMBL3702551 0.93 LPAR1 (0.53) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3705376 0.92 LPAR1 (0.41) LPAR1LPAR3LPAR2TP53MAPT
SCHEMBL3700512 0.89 LPAR1 (0.48) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL2336641 0.88 LPAR1 (0.57) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3714447 0.87 LPAR1 (0.51) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3708635 0.86 LPAR1 (0.50) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3700613 0.85 LPAR1 (0.61) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3712293 0.85 LPAR1 (0.49) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL2338066 0.85 LPAR1 (0.51) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL16496700 0.84 LPAR1 (0.67) LPAR1LPAR3LPAR2MAPTKDM4E

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