Benzene

Benzene

SCHEMBL28568178

Oc1cc2c3cc(O)c(O)cc3c3cc(O)c(O)cc3c2cc1O.c1ccccc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 7/20 0.47
PRKACA P17612 1/20 0.47
PRKACG P22612 1/20 0.47
PRKACB P22694 1/20 0.47
ALOX5 P09917 1/20 0.41
BACE1 P56817 1/20 0.40
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
IDO1 P14902 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 0.38
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL212835 0.91 SRC (0.53) SRCPRKACAPRKACGPRKACBBACE1
SCHEMBL29384353 0.91 SRC (0.53) SRCPRKACAPRKACGPRKACBBACE1
SCHEMBL29393709 0.91 SRC (0.53) SRCPRKACAPRKACGPRKACBBACE1
Water SCHEMBL1993869 0.87 SRC (0.50) SRCPRKACAPRKACGPRKACBBACE1
Water SCHEMBL29446320 0.87 SRC (0.50) SRCPRKACAPRKACGPRKACBBACE1
Water SCHEMBL29446319 0.87 SRC (0.50) SRCPRKACAPRKACGPRKACBBACE1
Water SCHEMBL15941074 0.87 SRC (0.50) SRCPRKACAPRKACGPRKACBBACE1
SCHEMBL12124151 0.82 IDO1 (0.56) SRCPRKACAPRKACGPRKACBALOX5
SCHEMBL31154139 0.80 SRC (0.45) SRCPRKACAPRKACGPRKACBBACE1
SCHEMBL28907259 0.80 SRC (0.45) SRCPRKACAPRKACGPRKACBBACE1

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-112898610-B Flexible metal-organic framework/gelatin composite film and preparation method and application thereof 浙江大学 2022-05-27 CN disclosed
CN-112898610-A Flexible metal-organic framework/gelatin composite film and preparation method and application thereof 浙江大学 2021-06-04 CN disclosed