Benzene

Benzene

SCHEMBL10513541

CC(C)(C)C(=O)OCCOC(=O)C(C)(C)C.c1ccccc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PRKCA P17252 2/20 0.42
GBA1 P04062 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
CHRM2 P08172 4/20 0.41
CHRM1 P11229 4/20 0.41
CHRM3 P20309 4/20 0.41
CHRM4 P08173 2/20 0.41
CHRM5 P08912 1/20 0.41
NPC1 O15118 1/20 0.40
ELANE P08246 5/20 0.38
LMNA P02545 1/20 0.38
PRKCD Q05655 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
SCHEMBL4258156 0.92 POLB (0.48) POLBGAANPSR1PRKCAGBA1
Benzene SCHEMBL8651830 0.88 LMNA (0.48) POLBGAANPSR1PRKCAGBA1
SCHEMBL10403143 0.87 POLB (0.43) POLBGAANPSR1PRKCAGBA1
SCHEMBL19393389 0.85 POLB (0.50) POLBGAANPSR1PRKCAGBA1
SCHEMBL4885829 0.84 POLB (0.44) POLBGAANPSR1PRKCAGBA1
SCHEMBL4886954 0.84 POLB (0.44) POLBGAANPSR1PRKCAGBA1
SCHEMBL1640972 0.84 POLB (0.44) POLBGAANPSR1PRKCAGBA1
SCHEMBL5021535 0.84 POLB (0.44) POLBGAANPSR1PRKCAGBA1
SCHEMBL290872 0.84 HCAR2 (0.53) POLBPRKCANPC1LMNAPRKCD
SCHEMBL12389249 0.82 THRB (0.56) PRKCAMEN1KMT2AMAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4849504-A FORMED BY AROMATION OF A 1,2-DISUBSTITUTED CYCLOHEXADIENE POLYMER IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-07-18 US disclosed
EP-0154162-B1 PROCESS AND POLYMER IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-02-08 EP disclosed
EP-0076605-B1 PROCESS AND POLYMERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-05-07 EP disclosed
EP-0154162-A2 Process and polymer IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-09-11 EP disclosed
US-4536555-A Preparation of aromatic polymers from cyclohexa-3,5-diene polymers IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1985-08-20 US disclosed
US-4524198-A HOMOPOLYMERS AND COPOLYMERS; SHAPING OR FORMING FOLLOWED BY CONVERSION TO POLYPHENYLENES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1985-06-18 US disclosed
US-4476296-A Preparation of aromatic polymers from cyclohexa-3,5-diene polymers IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1984-10-09 US disclosed
EP-0076605-A1 Process and polymers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-04-13 EP disclosed