Benzene

Benzene

SCHEMBL10558251

O=C(O)c1c2ccccc2c(C(=O)O)c2ccccc12.c1ccccc1

nearest known ligand 0.68

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.68
▸ ALDH1A1 P00352 2/20 0.68
▸ HPGD P15428 2/20 0.68
▸ HSD17B10 Q99714 2/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ CYP1A2 P05177 1/20 0.68
▸ GLA P06280 1/20 0.68
▸ CYP2C19 P33261 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ TSHR P16473 3/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ DAO P14920 1/20 0.50
▸ NAPRT Q6XQN6 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL29599456 1.00 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL70004 1.00 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL21173958 0.97 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL31436571 0.97 KDM4E (0.65) KDM4EALDH1A1HPGDHSD17B10MEN1
Fluoride SCHEMBL29599355 0.94 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL25177897 0.92 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL54422 0.91 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL2477681 0.89 HSD17B10 (0.58) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL31441237 0.88 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL16616351 0.88 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10MEN1

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-4883898-A Chemiluminescent compounds UNIVERSITY OF CHICAGO (US) 1989-11-28 — — US disclosed
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