Benzene

Benzene

SCHEMBL8717860

CC(C)OC(=O)Oc1ccccc1.c1ccccc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
KMT2A Q03164 1/20 0.47
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47
MAPT P10636 2/20 0.45
ATM Q13315 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ELANE P08246 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP14 P50281 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MTNR1A P48039 4/20 0.43
MTNR1B P49286 4/20 0.43

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
SCHEMBL1792881 1.00 TSHR (0.48) TSHRALDH1A1GAAMEN1LMNA
SCHEMBL8480144 0.93 MMP2 (0.53) ALDH1A1GAAMEN1LMNATP53
SCHEMBL28015878 0.90 TSHR (0.44) TSHRALDH1A1GAAMEN1LMNA
SCHEMBL5696591 0.89 MAPT (0.59) TSHRGAAMEN1LMNAKMT2A
SCHEMBL16353853 0.84 ALDH1A1 (0.42) ALDH1A1GAAMEN1LMNATP53
SCHEMBL9464671 0.84 ALDH1A1 (0.42) TSHRALDH1A1GAAMEN1LMNA
SCHEMBL6895672 0.84 ALDH1A1 (0.42) TSHRALDH1A1GAAMEN1LMNA
SCHEMBL4492405 0.84 ALOX15 (0.43) TSHRALDH1A1GAAMEN1LMNA
SCHEMBL4740194 0.84 ALDH1A1 (0.42) TSHRALDH1A1GAAMEN1LMNA
SCHEMBL8846903 0.82 HCAR2 (0.53) ALDH1A1GAAMEN1LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639582-B1 Polynucleotide assay reagent and method ANTIVIRALS INC (US) 1998-09-16 EP disclosed
EP-0215942-B1 POLYNUCLEOTIDE ASSAY REAGENT AND METHOD ANTIVIRALS INC (US) 1995-07-12 EP disclosed
EP-0639582-A2 Polynucleotide assay reagent and method ANTIVIRALS INC. (US) 1995-02-22 EP disclosed
US-5217866-A Polynucleotide assay reagent and method ANTI-GENE DEVELOPMENT GROUP (US) 1993-06-08 US disclosed
EP-0216860-B1 STEREOREGULAR POLYNUCLEOTIDE-BINDING POLYMERS SUMMERTON, James (US) 1992-10-28 EP disclosed
EP-0216860-A4 STEREOREGULAR POLYNUCLEOTIDE-BINDING POLYMERS. SUMMERTON JAMES (US) 1989-02-22 EP disclosed
EP-0215942-A4 POLYNUCLEOTIDE ASSAY REAGENT AND METHOD. SUMMERTON JAMES 1988-08-23 EP disclosed
EP-0216860-A1 STEREOREGULAR POLYNUCLEOTIDE-BINDING POLYMERS. SUMMERTON JAMES (US) 1987-04-08 EP disclosed
EP-0215942-A1 POLYNUCLEOTIDE ASSAY REAGENT AND METHOD. SUMMERTON JAMES 1987-04-01 EP disclosed
WO-1986005518-A1 STEREOREGULAR POLYNUCLEOTIDE-BINDING POLYMERS SUMMERTON JAMES 1986-09-25 WO disclosed
WO-1986005519-A1 POLYNUCLEOTIDE ASSAY REAGENT AND METHOD SUMMERTON JAMES 1986-09-25 WO disclosed