SCHEMBL8550070

SCHEMBL8550070

CCC(CC(Oc1cccc(OCc2ccccc2)c1)c1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAOB P27338 2/20 0.49
NR4A2 P43354 1/20 0.48
ALOX5 P09917 1/20 0.47
MME P08473 1/20 0.46
ACE P12821 1/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
FFAR1 O14842 2/20 0.45
SMPD1 P17405 1/20 0.44
MEN1 O00255 2/20 0.44
GPR132 Q9UNW8 1/20 0.44
BCHE P06276 1/20 0.44
SPHK2 Q9NRA0 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44

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
SCHEMBL8547551 0.88
SCHEMBL8549667 0.84 MAOB (0.53) MAOB
SCHEMBL8551507 0.83 PPARA (0.42) KMT2ASMN1; SMN2MAOBALOX5FFAR1
SCHEMBL8551123 0.83 PARP15 (0.47) KMT2ASMN1; SMN2MAOBALOX5
SCHEMBL8545547 0.82 PPARA (0.47) MAOBFFAR1
SCHEMBL8550604 0.82 CYP2D6 (0.50)
SCHEMBL8545384 0.81 PPARA (0.50) KMT2ASMN1; SMN2MAOBMEN1
SCHEMBL28087440 0.80 MME (0.60) KMT2ASMN1; SMN2MAOBNR4A2MME
SCHEMBL7900754 0.78 KMT2A (0.57) KMT2ASMN1; SMN2MAOBNR4A2FFAR1
SCHEMBL7900762 0.78 KMT2A (0.57) KMT2ASMN1; SMN2MAOBNR4A2FFAR1

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