SCHEMBL12482249

SCHEMBL12482249

CNCc1ccc(C(OC)OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
HTR7 P34969 4/20 0.42
NCF1 P14598 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR1E P28566 1/20 0.38
HTR2B P41595 1/20 0.38
HTR5A P47898 1/20 0.38
HTR6 P50406 1/20 0.38
ADRB2 P07550 1/20 0.37

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
SCHEMBL14838634 0.87 LOXL2 (0.39) LOXL2KDM4ECYP3A4MAPTHTR7
SCHEMBL12449508 0.80 L3MBTL1 (0.45) HTR7L3MBTL1HTR1AHTR1DHTR1B
SCHEMBL2047868 0.80 ACHE (0.44) LOXL2KDM4ECYP3A4MAPTHTR7
SCHEMBL12085984 0.79 L3MBTL1 (0.37) L3MBTL1HTT
SCHEMBL2504209 0.76 KDM4E (0.68) LOXL2KDM4ECYP3A4MAPTHTR7
SCHEMBL8955219 0.76 CA12 (0.35) KDM4ECYP3A4L3MBTL1TDP1MAPK1
SCHEMBL16948162 0.76 PYCR1 (0.56) L3MBTL1MEN1KMT2AMITFLMNA
SCHEMBL1254702 0.76 L3MBTL1 (0.52) LOXL2KDM4ECYP3A4MAPTNCF1
SCHEMBL9008790 0.76 TDP1 (0.50) L3MBTL1ATMTDP1LMNAMAPK1
SCHEMBL11236737 0.75 LTA4H (0.55) L3MBTL1LMNAHTT

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-2348096-A2 Synthesis of hybrid block copolymers and uses thereof Intezyne Technologies Inc. (US) 2011-07-27 EP disclosed