SCHEMBL6705

SCHEMBL6705

C=CCCCN(C)c1c(C)noc1-c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.44
CYP2C9 P11712 2/20 0.44
ABCC3 O15438 1/20 0.44
ABCC4 O15439 1/20 0.44
ABCB11 O95342 1/20 0.44
CYP2C8 P10632 1/20 0.44
ABCB4 P21439 1/20 0.44
ABCC2 Q92887 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44
BRD4 O60885 2/20 0.34
POLB P06746 2/20 0.32
HSP90AA1 P07900 2/20 0.32
NR1H4 Q96RI1 1/20 0.32
TAS2R8 Q9NYW2 2/20 0.32
KMT2A Q03164 3/20 0.31
TET3 O43151 2/20 0.31
FBXL19 Q6PCT2 2/20 0.31
CXXC5 Q7LFL8 2/20 0.31
TET1 Q8NFU7 2/20 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
SCHEMBL7501 0.90 ABCC3 (0.37) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL7415 0.87 LPAR1 (0.46) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL6916 0.87 BRD4 (0.33) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL982 0.85 LPAR1 (0.48) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL1239 0.82 ABCC3 (0.42) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL6236 0.82 GAA (0.34) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL2214 0.81 LPAR1 (0.45) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL1127 0.81 LPAR1 (0.43) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL7096 0.80 LPAR1 (0.47) LPAR1CYP2C9ABCC3ABCC4ABCB11
SCHEMBL13292 0.80 LPAR1 (0.49) LPAR1CYP2C9ABCC3ABCC4ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP claimed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO claimed
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed