SCHEMBL8545746

SCHEMBL8545746

Cc1ccccc1C(CC(C)C(=O)O)C(=O)c1cccc(OCc2ccccn2)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 5/20 0.51
CYSLTR1 Q9Y271 2/20 0.43
CYSLTR2 Q9NS75 1/20 0.43
MAPK14 Q16539 1/20 0.41
SMO Q99835 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PLAT P00750 1/20 0.41
PTPN1 P18031 1/20 0.41
NR4A2 P43354 1/20 0.40
MAOB P27338 2/20 0.40
GPBAR1 Q8TDU6 1/20 0.40
ADAMTS4 O75173 1/20 0.39
HTR5A P47898 1/20 0.39

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
SCHEMBL8545815 0.87 MAOB (0.54) GPR132PTPN1NR4A2MAOB
SCHEMBL8545786 0.86 GPR132 (0.52) GPR132NR4A2MAOB
SCHEMBL7907403 0.86 GPR132 (0.48) GPR132CYSLTR1CYSLTR2
SCHEMBL7907400 0.86 GPR132 (0.48) GPR132CYSLTR1CYSLTR2
SCHEMBL8547664 0.86 CYSLTR1 (0.41) GPR132CYSLTR1CYSLTR2NR4A2MAOB
SCHEMBL8549666 0.85 GPR132 (0.60) GPR132
SCHEMBL8545743 0.83 GPR132 (0.47) GPR132CYSLTR1MAPK14SMOPARP10
SCHEMBL8547558 0.82 SMPD1 (0.52) PTPN1NR4A2MAOB
SCHEMBL8549981 0.82 MRGPRX4 (0.52) GPR132CYSLTR1CYSLTR2NR4A2MAOB
SCHEMBL8546699 0.82 ALDH1A1 (0.42)

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-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP claimed