SCHEMBL27577458

SCHEMBL27577458

Nc1cc(OC2CCCC2)c(OCc2ccccc2)cc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.51
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SGMS2 Q8NHU3 1/20 0.46
PTGER1 P34995 3/20 0.44
FOLH1 Q04609 1/20 0.44
PDE4B Q07343 3/20 0.44
PDE4A P27815 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
MCL1 Q07820 1/20 0.44
SRD5A1 P18405 1/20 0.41
SRD5A2 P31213 1/20 0.41
SLC6A4 P31645 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41

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
SCHEMBL1446554 0.90 KAT2B (0.44) C5AR1PTGER1FOLH1PDE4BPDE4A
SCHEMBL7219195 0.90 C5AR1 (0.48) C5AR1ALDH1A1MEN1KMT2ASGMS2
SCHEMBL27595601 0.82 CTSV (0.50) C5AR1ALDH1A1MEN1KMT2ASGMS2
SCHEMBL4728946 0.80 CTSV (0.57) FOLH1SRD5A1SRD5A2KDM4E
SCHEMBL3138320 0.80 CTSV (0.57) FOLH1SRD5A1SRD5A2KDM4E
SCHEMBL7352767 0.79 C5AR1 (0.56) C5AR1ALDH1A1MEN1KMT2APTGER1
SCHEMBL12793473 0.77 NPC1 (0.50) ALDH1A1MEN1KMT2ASGMS2SRD5A1
SCHEMBL31151927 0.77 CTSV (0.52) ALDH1A1MEN1KMT2APTGER1FOLH1
SCHEMBL4220259 0.77 MCL1 (0.54) ALDH1A1MEN1KMT2APTGER1FOLH1
SCHEMBL1446522 0.76 PDE4D (0.46) ALDH1A1PTGER1PDE4BPDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100404517-C Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for their preparation BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 CN disclosed
CN-1449390-A Bicyclic heterocycles, pharmaceutical compositions containing these compounds, their use and processes for their preparation BOEHRINGER INGELHEIM PHARMA (DE) 2003-10-15 CN disclosed