SCHEMBL27782837

SCHEMBL27782837

CCCCCNc1c(CCC(=O)O)cccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.49
PTGER4 P35408 4/20 0.49
PTGER3 P43115 4/20 0.49
PTGER2 P43116 4/20 0.49
FFAR1 O14842 4/20 0.46
FFAR4 Q5NUL3 4/20 0.46
SOAT1 P35610 4/20 0.45
HPGD P15428 1/20 0.42
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
PPARA Q07869 1/20 0.40
KCNA3 P22001 1/20 0.40

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
SCHEMBL15641739 0.79 HPGD (0.48) HPGDCYSLTR2CYSLTR1
SCHEMBL1926388 0.76 KCNA3 (0.48) SOAT1HPGDKCNA3
SCHEMBL8780386 0.75 CYSLTR2 (0.58) PTGER1PTGER4PTGER3PTGER2CYSLTR2
SCHEMBL368609 0.75 PTGS2 (0.43) SOAT1
SCHEMBL6053663 0.74 PTGER4 (0.81) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL9484842 0.74 CYSLTR2 (0.60) PTGER1PTGER4PTGER3PTGER2CYSLTR2
SCHEMBL9484846 0.73 PTGER1 (0.62) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL4785901 0.73 BCAT2 (0.51) SOAT1HPGD
SCHEMBL31212507 0.73 PTGER4 (0.77) PTGER1PTGER4PTGER3PTGER2FFAR1
SCHEMBL1261128 0.73 PTGER4 (0.77) PTGER1PTGER4PTGER3PTGER2FFAR1

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
CN-101555211-B Chemical synthesis method of 2-acylamino-3-biphenyl propionic acid ZHEJIANG JIUZHOU PHARM CO LTD 2012-01-25 CN disclosed
CN-101774941-A Method for preparing and splitting 2-acyl amino-3-biphenylyl propionic acid ZHEJIANG JIUZHOU PHARMACEUTICA 2010-07-14 CN disclosed
CN-101555211-A Chemical synthesis method of 2-acylamino-3-biphenyl propionic acid ZHEJIANG JIUZHOU PHARMACEUTICA (CN) 2009-10-14 CN disclosed