SCHEMBL8545384

SCHEMBL8545384

CCNC(=O)c1ccc(OCc2ccccc2)cc1OC(CC(CC)C(=O)O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.50
NMT1 P30419 1/20 0.45
PPARG P37231 4/20 0.45
PPARD Q03181 2/20 0.45
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BRD4 O60885 3/20 0.43
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.40

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
SCHEMBL8545547 0.89 PPARA (0.47) PPARAPPARGPPARDALDH1A1MAOB
SCHEMBL8549667 0.88 MAOB (0.53) PPARAPPARGPPARDMAOBMAOA
SCHEMBL8551123 0.87 PARP15 (0.47) PPARAPPARGPPARDKMT2ASMN1; SMN2
SCHEMBL7907396 0.85 NMT1 (0.46) NMT1ALDH1A1MEN1NPC1RAB9A
SCHEMBL7907397 0.85 NMT1 (0.46) NMT1ALDH1A1MEN1NPC1RAB9A
SCHEMBL8551507 0.82 PPARA (0.42) PPARAPPARGPPARDKMT2ASMN1; SMN2
SCHEMBL8545380 0.81 NMT1 (0.44) NMT1ALDH1A1MEN1NPC1RAB9A
SCHEMBL8550604 0.81 CYP2D6 (0.50)
SCHEMBL8550070 0.81 KMT2A (0.50) MEN1KMT2ASMN1; SMN2MAOB
SCHEMBL8549924 0.80 GPR132 (0.46) MAOB

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