SCHEMBL6906665

SCHEMBL6906665

O=C1c2ccccc2C(C(=O)O)c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 13/20 0.66
EDNRA P25101 13/20 0.66
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
MEN1 O00255 1/20 0.46
CDC25B P30305 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
HBB P68871 1/20 0.44
CYP1A2 P05177 1/20 0.43

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
Benzene SCHEMBL28538497 0.89 HDAC3 (0.59) EDNRBEDNRAHDAC3HDAC4HDAC7
SCHEMBL40500 0.89 HDAC3 (0.59) EDNRBEDNRAHDAC3HDAC4HDAC7
SCHEMBL30001332 0.89 HDAC3 (0.59) EDNRBEDNRAHDAC3HDAC4HDAC7
SCHEMBL10930218 0.88 EDNRA (0.56) EDNRBEDNRAHDAC3HDAC4HDAC7
Hydrochloric Acid SCHEMBL7052205 0.86 HDAC3 (0.57) EDNRBEDNRAHDAC3HDAC4HDAC7
SCHEMBL10355854 0.81 EDNRA (0.50) EDNRBEDNRAHDAC3HDAC4HDAC7
SCHEMBL11527593 0.81 EDNRA (0.50) EDNRBEDNRAHDAC3HDAC4HDAC7
SCHEMBL18385987 0.81 HDAC3 (0.52) EDNRBEDNRAHDAC3HDAC4HDAC7
Methacrylic Acid SCHEMBL11900028 0.76 HDAC3 (0.47) EDNRBEDNRAHDAC3HDAC4HDAC7
SCHEMBL8136999 0.76 ALDH1A1 (0.47) EDNRBEDNRAHDAC3HDAC4HDAC7

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
US-6815481-B2 FUSED DIBENZO THERMAL STABILIZERS SUCH AS ANTHRACENE, XANTHENE AND ANTHRONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-09 US disclosed
US-20020032256-A1 Polybutadiene composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-14 US disclosed