Benzene

Benzene

SCHEMBL28354853

O=C(O)C1(c2ccccc2)C=CC=CC1.c1ccccc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.41
AKR1C1 Q04828 1/20 0.40
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HSD11B1 P28845 2/20 0.33
MAPK1 P28482 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL4451679 1.00 HDAC4 (0.41) HDAC4AKR1C1LMNAHTTHDAC9
SCHEMBL29120630 0.86 HDAC4 (0.39) HDAC4AKR1C1LMNAHTTHDAC9
SCHEMBL15529967 0.86 HDAC4 (0.39) HDAC4AKR1C1LMNAHTTHDAC9
SCHEMBL3836530 0.86 HDAC4 (0.39) HDAC4AKR1C1HDAC9HSD11B1OPRM1
SCHEMBL9458297 0.86 APP (0.33)
SCHEMBL9029796 0.84 HSD11B1 (0.38) LMNAHSD11B1OPRM1OPRL1
SCHEMBL2783202 0.84 TSHR (0.40)
SCHEMBL29531155 0.84 HDAC4 (0.38) HDAC4AKR1C1LMNAHDAC9MAPK1
SCHEMBL28878362 0.81 HDAC4 (0.33) HDAC4
SCHEMBL28916077 0.81 HDAC4 (0.33) HDAC4

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-117500520-A Immunogenic compositions comprising antigen and an adjuvant comprising Al-MOF 圣康丁昂伊夫利纳凡尔赛大学 2024-02-02 CN disclosed
CN-110719783-A Pharmaceutical composition 阿特密斯株式会社 2020-01-21 CN disclosed