SCHEMBL728418

SCHEMBL728418

Oc1ccc(CCNc2ccccc2O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.68
MEN1 O00255 1/20 0.68
ALDH1A1 P00352 1/20 0.68
MAPT P10636 1/20 0.68
THRB P10828 1/20 0.68
ALOX12 P18054 1/20 0.68
KMT2A Q03164 1/20 0.68
NPC1 O15118 1/20 0.58
MTOR P42345 1/20 0.58
RAB9A P51151 1/20 0.58
SIRT2 Q8IXJ6 1/20 0.58
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
MT-CO2 P00403 1/20 0.46
OPRK1 P41145 1/20 0.45
CYP19A1 P11511 1/20 0.45
TNKS O95271 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45

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
SCHEMBL6225122 0.82 GAA (0.60) KDM4EMEN1ALDH1A1MAPTTHRB
SCHEMBL11509284 0.81 MAPT (1.00) KDM4EMEN1ALDH1A1MAPTTHRB
SCHEMBL13736441 0.80 MAPT (0.57) KDM4EMEN1ALDH1A1MAPTTHRB
SCHEMBL9577809 0.78 MAPT (0.55) KDM4EMEN1ALDH1A1MAPTTHRB
SCHEMBL5305854 0.77 L3MBTL1 (0.70) ALDH1A1MAPTNPC1MTORRAB9A
SCHEMBL28927027 0.76 MAPT (0.53) KDM4EMEN1ALDH1A1MAPTTHRB
SCHEMBL2204571 0.74 KDM4E (0.52) KDM4EMEN1ALDH1A1MAPTTHRB
SCHEMBL6261878 0.74 MAPT (0.88) KDM4EMEN1ALDH1A1MAPTTHRB
SCHEMBL3879346 0.74 MAPK1 (0.46) KDM4EMEN1ALDH1A1MAPTALOX12
SCHEMBL8650828 0.74 RAB9A (0.82) MEN1ALDH1A1MAPTTHRBKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8137688-B2 Hydroxyphenyl cross-linked macromolecular network and applications thereof THE CLEVELAND CLINIC FOUNDATION (US) 2012-03-20 US disclosed
US-8138265-B2 Hydroxyphenyl cross-linked macromolecular network and applications thereof THE CLEVELAND CLINIC FOUNDATION (US) 2012-03-20 US disclosed
US-8021350-B2 Hydroxyphenyl cross-linked macromolecular network and applications thereof THE CLEVELAND CLINIC FOUNDATION (US) 2011-09-20 US disclosed