SCHEMBL3044308

SCHEMBL3044308

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.35
LPAR2 Q9HBW0 2/20 0.35
LPAR3 Q9UBY5 2/20 0.35
FFAR4 Q5NUL3 4/20 0.33
FFAR1 O14842 4/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.31
ALOX5 P09917 2/20 0.31
ALOX5AP P20292 2/20 0.31
ACR P10323 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 1/20 0.30
USP2 O75604 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
SCHEMBL3049045 0.95 TRPM8 (0.35) LPAR1LPAR2LPAR3FFAR4FFAR1
SCHEMBL3051292 0.94 HDAC3 (0.36) LPAR1LPAR2LPAR3FFAR4FFAR1
SCHEMBL3039796 0.87 LPAR1 (0.32) LPAR1LPAR2LPAR3ALOX5ALOX5AP
SCHEMBL3039743 0.85 LPAR1 (0.30) LPAR1LPAR2LPAR3ACRKDM4E
SCHEMBL2336066 0.84 LPAR1 (0.41) LPAR1LPAR2LPAR3FFAR4FFAR1
SCHEMBL2334588 0.83 LPAR1 (0.40) LPAR1LPAR2LPAR3FFAR4FFAR1
SCHEMBL2338262 0.82 LPAR1 (0.50) LPAR1LPAR2LPAR3GAA
SCHEMBL2335317 0.82 LPAR1 (0.38) LPAR1LPAR2LPAR3KDM4EALDH1A1
SCHEMBL3704161 0.81 LPAR1 (0.47) LPAR1LPAR2LPAR3ALDH1A1GAA
SCHEMBL2332523 0.80 MAPT (0.40) 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