Benzene

Benzene

SCHEMBL28199384

C=C(C)C(=O)OC1CCCCC1.c1ccccc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.42
FABP7 O15540 1/20 0.41
FABP5 Q01469 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
NAAA Q02083 2/20 0.39
MMP9 P14780 2/20 0.38
MMP12 P39900 2/20 0.38
MMP1 P03956 1/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
HTT P42858 1/20 0.38
CYP19A1 P11511 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BCHE P06276 1/20 0.37
MMP2 P08253 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36

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
Bicarbonate SCHEMBL13570854 0.94 EPHX1 (0.43) EPHX1FABP7FABP5TDP1NAAA
SCHEMBL18823066 0.94 EPHX1 (0.46) EPHX1NAAAHTTCYP19A1SMN1; SMN2
SCHEMBL439354 0.94 EPHX1 (0.46) EPHX1NAAAHTTCYP19A1SMN1; SMN2
SCHEMBL440149 0.94 EPHX1 (0.46) EPHX1NAAAHTTCYP19A1SMN1; SMN2
SCHEMBL22480 0.94 EPHX1 (0.46) EPHX1NAAAHTTCYP19A1SMN1; SMN2
SCHEMBL1052594 0.94 EPHX1 (0.46) EPHX1NAAAHTTCYP19A1SMN1; SMN2
SCHEMBL16297135 0.94 EPHX1 (0.46) EPHX1NAAAHTTCYP19A1SMN1; SMN2
SCHEMBL887989 0.94 EPHX1 (0.46) EPHX1NAAAHTTCYP19A1SMN1; SMN2
SCHEMBL18822970 0.94 EPHX1 (0.46) EPHX1NAAAHTTCYP19A1SMN1; SMN2
SCHEMBL28878275 0.94 EPHX1 (0.46) EPHX1NAAAHTTCYP19A1SMN1; SMN2

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
CN-107739578-A Bonding sheet 日东电工株式会社 2018-02-27 CN disclosed
CN-107722854-A Bonding sheet 日东电工株式会社 2018-02-23 CN disclosed