SCHEMBL8486371

SCHEMBL8486371

CCC(Oc1ccc(OCc2ccccc2)cc1)C1CNCCC1(O)Cc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAOB P27338 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
RORC P51449 2/20 0.37
HTR2A P28223 4/20 0.36
GPR34 Q9UPC5 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
MMP3 P08254 1/20 0.36
MMP10 P09238 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
YAP1 P46937 1/20 0.36
NR4A2 P43354 1/20 0.35

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
SCHEMBL8483699 0.84 MAOB (0.39) LMNAL3MBTL1MAOBADAM17
SCHEMBL8486744 0.83 ALDH1A1 (0.36) LMNAL3MBTL1MEN1ALDH1A1KMT2A
SCHEMBL8486375 0.77 MAOB (0.40) LMNAMAOBMEN1ALDH1A1RECQL
SCHEMBL8482603 0.74 GRIN1 (0.37) MAOBMEN1ALDH1A1RECQLKMT2A
Hydrochloric Acid SCHEMBL8487938 0.74
SCHEMBL8485579 0.70 YAP1 (0.40) LMNAL3MBTL1MAOBMEN1ALDH1A1
SCHEMBL7209167 0.70 PPARG (0.43) LMNAL3MBTL1MAOBMMP3MMP10
SCHEMBL7214886 0.70 PPARG (0.43) LMNAL3MBTL1MAOBMMP3MMP10
Hydrochloric Acid SCHEMBL8865801 0.70 SLC6A2 (0.34)
SCHEMBL8195162 0.68 MAOB (0.44) LMNAMAOBMMP3MMP10NR4A2

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
US-5889026-A 4-hydroxy-piperodine derivatives HOFFMANN-LA ROCHE INC. (US) 1999-03-30 US disclosed