SCHEMBL10102757

SCHEMBL10102757

C=C(N[C@@H](CC1=CCCC=C1)C(=O)O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.37
ACE P12821 4/20 0.36
POLB P06746 2/20 0.36
MME P08473 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NAALAD2 Q9Y3Q0 1/20 0.34
CPA1 P15085 2/20 0.34
ACE2 Q9BYF1 2/20 0.34
GPR132 Q9UNW8 1/20 0.34
CA2 P00918 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL19246833 0.76 MME (0.58) PTPN1ACEMMENPSR1L3MBTL1
SCHEMBL12069766 0.72 ACE (0.50) ACEPOLBMMEALDH1A1MAPT
SCHEMBL24201035 0.69 ACE (0.42) PTPN1ACEPOLBMMEALDH1A1
SCHEMBL19968320 0.69 ALDH1A1 (0.34) ACEMMENPSR1ALDH1A1ACE2
SCHEMBL13862514 0.68 KMT2A (0.44) PTPN1ALDH1A1MAPTL3MBTL1MEN1
SCHEMBL20877592 0.68 KDM6B (0.36)
SCHEMBL22503613 0.68 GNPAT (0.45) ACEPOLBMMEALDH1A1MEN1
SCHEMBL29033866 0.67 KMT2A (0.58) MMEL3MBTL1KMT2ANAALAD2CA2
SCHEMBL879605 0.67 SLC7A5 (0.43) POLBNPSR1ALDH1A1MAPTL3MBTL1
SCHEMBL23869542 0.66

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
EP-2409569-A2 Method for administering GLP-1 molecules Emisphere Technologies, Inc. (US) 2012-01-25 EP disclosed