SCHEMBL8707447

SCHEMBL8707447

CCC(=O)c1ccccc1-c1cc2ccccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.50
MAOA P21397 1/20 0.50
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.46
KDM4E B2RXH2 5/20 0.45
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 2/20 0.45
ATM Q13315 1/20 0.45
NFKB1 P19838 1/20 0.45
NPY1R P25929 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
CA9 Q16790 3/20 0.44
CA12 O43570 2/20 0.44
CYP1A2 P05177 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
SCHEMBL14052473 0.82 NPC1 (0.54) MAOBMAOALMNACYP3A4KDM4E
SCHEMBL2209825 0.81 TSHR (0.58) MAOBMAOALMNAKDM4ENPC1
SCHEMBL2907025 0.79 KDM4E (0.62) MAOBMAOALMNAKDM4ENPC1
SCHEMBL18506191 0.78 LMNA (0.66) MAOBMAOALMNACYP3A4KDM4E
SCHEMBL27468894 0.78 NPC1 (0.58) MAOBMAOANPC1RAB9AALDH1A1
SCHEMBL7349348 0.77 LMNA (0.78) MAOBMAOALMNAKDM4ENPC1
SCHEMBL29366799 0.77 NPC1 (0.58) MAOBLMNAKDM4ENPC1RAB9A
SCHEMBL28512382 0.77 NPC1 (0.58) MAOBLMNAKDM4ENPC1RAB9A
SCHEMBL18015826 0.76 MAOB (0.57) MAOBMAOACYP3A4KDM4ENPC1
SCHEMBL10155752 0.76 FLT3 (0.67) LMNAKDM4ENPC1RAB9AALDH1A1

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
JP-10237089-A None JP disclosed
JP-H10237089-A PROPIOPHENONE DERIVATIVE AND ITS PRODUCTION TANABE SEIYAKU CO LTD 1998-09-08 JP disclosed