Benzoquinone

Benzoquinone

SCHEMBL8053007

CCCc1cc(C)ccc1N(O)O.O=C1C=CC(=O)C=C1

nearest known ligand 0.36

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.33
MAPT P10636 3/20 0.32
KDM4E B2RXH2 3/20 0.32
HSD17B3 P37058 2/20 0.32
HPGD P15428 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
TAAR1 Q96RJ0 1/20 0.32
HSD17B1 P14061 1/20 0.31
HSD17B2 P37059 1/20 0.31
APOBEC3A P31941 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
GLA P06280 1/20 0.30

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
SCHEMBL147150 0.90 TAAR1 (0.37) HSD17B10TSHRLDHALDHBALDH1A1
Hydroquinone SCHEMBL8038445 0.84 ACHE (0.39) HSD17B10TSHRLDHALDHBALDH1A1
SCHEMBL146113 0.79 AMY1A (0.37) ALDH1A1HTTMAPTKDM4EHPGD
Hydrochloric Acid SCHEMBL30471359 0.78 AMY1A (0.36) ALDH1A1HTTMAPTKDM4EHPGD
SCHEMBL28919509 0.74 TAAR1 (0.38) HSD17B10TSHRLDHALDHBALDH1A1
SCHEMBL4010299 0.72 HTT (0.40) HSD17B10TSHRHTTKDM4EHPGD
SCHEMBL27385807 0.71 ALDH1A1 (0.36) HSD17B10TSHRLDHALDHBALDH1A1
Hydrogen Peroxide SCHEMBL11334349 0.70 LDHA (0.42) HSD17B10TSHRLDHALDHBALDH1A1
Benzoquinone SCHEMBL11712024 0.70 TYR (0.45) HSD17B10TSHRALDH1A1HTTMAPT
SCHEMBL10822849 0.69 TAAR1 (0.43) HSD17B10TSHRLDHALDHBALDH1A1

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-6015845-A Binder for building structure ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2000-01-18 US disclosed