SCHEMBL3040344

SCHEMBL3040344

Cc1noc(-c2ccc(C#CCO)cc2)c1NC(=O)OCCc1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.47
LPAR3 Q9UBY5 3/20 0.47
LPAR2 Q9HBW0 2/20 0.47
SCN9A Q15858 4/20 0.43
SCN5A Q14524 3/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 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

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
SCHEMBL3044311 0.91 LPAR1 (0.48) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3039799 0.89 LPAR1 (0.44) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3049046 0.89 LPAR1 (0.46) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3051293 0.88 LPAR1 (0.46) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3039747 0.88 LPAR1 (0.42) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL2332531 0.86 LPAR1 (0.52) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3714441 0.85 LPAR1 (0.54) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL25236847 0.84 LPAR1 (0.49) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3706535 0.84 LPAR1 (0.53) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL2335320 0.84 LPAR1 (0.53) LPAR1LPAR3LPAR2SCN9ASCN5A

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-2010068775-A2 ALKYNE ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-06-17 WO disclosed