SCHEMBL10697438

SCHEMBL10697438

C=CCCC(OCC(=O)O)c1ccccc1OC1CCCCO1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A3 Q01959 2/20 0.32
PDE4B Q07343 1/20 0.32
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
FAAH O00519 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
SCHEMBL16861345 0.74 MEN1 (0.38) PTGDR2MEN1KMT2ASLC6A3PDE4B
SCHEMBL10698433 0.70 DHFR (0.35) PTPN1SLC6A3
SCHEMBL5701695 0.70 PDE4B (0.39) PDE4BCYSLTR2CYSLTR1
SCHEMBL7241509 0.70 KMT2A (0.45) PTPN1KMT2A
SCHEMBL31233313 0.69 PTPN1 (0.43) PTPN1MEN1KMT2ASLC6A3PDE4B
SCHEMBL7221504 0.69 HPGD (0.44) PTPN1MEN1KMT2APDE4B
SCHEMBL11769897 0.69 SLC6A3 (0.38) PTPN1MEN1KMT2ASLC6A3PDE4B
SCHEMBL16861299 0.69 MEN1 (0.33) PTGDR2MEN1KMT2ASLC6A3PDE4B
SCHEMBL17537137 0.68 PTPN1 (0.36) PTPN1MEN1KMT2ASLC6A3PDE4B
SCHEMBL11766287 0.68 PTPN1 (0.37) PTPN1MEN1KMT2ASLC6A3PDE4B

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-0271287-A2 Quinoline dioic acids and amides MERCK FROSST CANADA INC. (CA) 1988-06-15 EP disclosed