SCHEMBL3039747

SCHEMBL3039747

CCOC(=O)C(C)(C)CC#Cc1ccc(-c2onc(C)c2NC(=O)OCCc2ccccc2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.42
LPAR3 Q9UBY5 3/20 0.42
LPAR2 Q9HBW0 2/20 0.42
SCN9A Q15858 3/20 0.38
SCN5A Q14524 2/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
CASP3 P42574 1/20 0.35
KMT2A Q03164 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
SLC26A6 Q9BXS9 2/20 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

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
SCHEMBL3039799 0.92 LPAR1 (0.44) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3040344 0.88 LPAR1 (0.47) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL13298990 0.85 LPAR1 (0.61) LPAR1LPAR3LPAR2MAPTKDM4E
SCHEMBL3044311 0.84 LPAR1 (0.48) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL2339958 0.84 LPAR1 (0.47) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3049046 0.83 LPAR1 (0.46) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3051293 0.82 LPAR1 (0.46) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL2332527 0.80 LPAR1 (0.49) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL2332531 0.80 LPAR1 (0.52) LPAR1LPAR3LPAR2SCN9ASCN5A
SCHEMBL3714441 0.79 LPAR1 (0.54) 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