SCHEMBL3039743

SCHEMBL3039743

CCOC(=O)N(c1ccccc1Cl)c1c(C)noc1-c1ccc(C#CCC(C)(C)C(=O)OCC)cc1

nearest known ligand 0.30

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.30
LPAR2 Q9HBW0 1/20 0.30
LPAR3 Q9UBY5 1/20 0.30
ACR P10323 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3039796 0.93 LPAR1 (0.32) LPAR1LPAR2LPAR3ACRKDM4E
SCHEMBL3044308 0.85 LPAR1 (0.35) LPAR1LPAR2LPAR3ACRKDM4E
SCHEMBL3049045 0.84 TRPM8 (0.35) LPAR1LPAR2LPAR3ACRKDM4E
SCHEMBL3051292 0.83 HDAC3 (0.36) LPAR1LPAR2LPAR3ALDH1A1
SCHEMBL2339955 0.83 CNR2 (0.34) LPAR1LPAR2LPAR3ACRKDM4E
SCHEMBL2338001 0.79 NR1H4 (0.39) LPAR1LPAR2LPAR3ACRKDM4E
SCHEMBL2335317 0.79 LPAR1 (0.38) LPAR1LPAR2LPAR3KDM4EALDH1A1
SCHEMBL2332523 0.79 MAPT (0.40) LPAR1LPAR2LPAR3ACRKDM4E
SCHEMBL2338262 0.77 LPAR1 (0.50) LPAR1LPAR2LPAR3
SCHEMBL2339543 0.77 LPAR1 (0.42) LPAR1LPAR2LPAR3ACRKDM4E

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