Benzene

Benzene

SCHEMBL28149666

O=C(Cl)c1ccc(C(=O)O)c(-c2ccccc2)c1.c1ccccc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.46
HNF4A P41235 3/20 0.44
CDC25B P30305 2/20 0.44
ACMSD Q8TDX5 2/20 0.44
CDC25A P30304 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ATM Q13315 1/20 0.44
AKR1C2 P52895 2/20 0.44
AKR1C1 Q04828 2/20 0.44
AKR1C3 P42330 1/20 0.44
KDM4E B2RXH2 1/20 0.43
SERPINE1 P05121 1/20 0.43
FOLH1 Q04609 1/20 0.42
LDHA P00338 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN6 P29350 1/20 0.42
DDT P30046 1/20 0.42
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42

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
SCHEMBL11750400 1.00 PTPN1 (0.46) PTPN1HNF4ACDC25BACMSDCDC25A
SCHEMBL8775411 0.91 HDAC7 (0.42) PTPN1HNF4ACDC25BACMSDCDC25A
SCHEMBL70541 0.87 KDM4E (0.56) PTPN1HNF4ACDC25BACMSDCDC25A
Terephthalic Acid SCHEMBL28437947 0.85 KDM4E (0.55) PTPN1HNF4ACDC25BCDC25AHSD17B10
Hydrochloric Acid SCHEMBL28890344 0.85 KDM4E (0.55) PTPN1HNF4ACDC25BACMSDCDC25A
SCHEMBL27662171 0.84 HNF4A (0.55) PTPN1HNF4ACDC25BACMSDATM
SCHEMBL30777933 0.84 HNF4A (0.55) PTPN1HNF4ACDC25BACMSDATM
SCHEMBL16584809 0.82 BCAT2 (0.52) PTPN1HNF4ACDC25BACMSDCDC25A
SCHEMBL7020487 0.82 CA12 (0.47) PTPN1HNF4ACDC25BACMSDCDC25A
SCHEMBL27876852 0.82 AKR1C3 (0.55) PTPN1HNF4ACDC25BACMSDCDC25A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106661153-B Polymerizable monomer, method for producing same, curable composition, and resin member 德山齿科株式会社 2019-11-08 CN disclosed
CN-110229257-A Polymerizable monomer, solidification compound and resin component 德山齿科株式会社 2019-09-13 CN disclosed
CN-106661153-A Polymerizable monomer, curable composition, and resin member 德山齿科株式会社 2017-05-10 CN disclosed