SCHEMBL2339955

SCHEMBL2339955

CCOC(=O)N(c1ccccc1Cl)c1c(C)noc1-c1ccc(-c2ccc(C(C)(C)C(=O)OCC)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ACR P10323 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
SLC26A6 Q9BXS9 1/20 0.32
FTO Q9C0B1 1/20 0.32
PKM P14618 1/20 0.31
GPBAR1 Q8TDU6 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL2338001 0.93 NR1H4 (0.39) LPAR1LPAR2LPAR3MAPTNPC1
SCHEMBL2335133 0.90 TP53 (0.34) CNR2MAPTALDH1A1KDM4ESLC26A6
SCHEMBL2335317 0.85 LPAR1 (0.38) LPAR1LPAR2LPAR3NPC1ALDH1A1
SCHEMBL2332523 0.85 MAPT (0.40) LPAR1LPAR2LPAR3MAPTNPC1
SCHEMBL2338262 0.83 LPAR1 (0.50) LPAR1LPAR2LPAR3NR1H4
SCHEMBL2339543 0.83 LPAR1 (0.42) LPAR1LPAR2LPAR3MAPTNPC1
SCHEMBL3039743 0.83 LPAR1 (0.30) LPAR1LPAR2LPAR3ACRALDH1A1
SCHEMBL2338970 0.83 USP2 (0.35) LPAR1MAPTALDH1A1KDM4ENR1H4
SCHEMBL2337989 0.83 LPAR1 (0.38) LPAR1LPAR2LPAR3MAPTACR
SCHEMBL2341943 0.82 CYP4F2 (0.39) LPAR1LPAR2LPAR3ALDH1A1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2358688-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-08-24 EP disclosed
WO-2010077883-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed