Benzene

Benzene

SCHEMBL25192521

CCC(=O)O.C[N+](C)(C)CCOC(=O)O.c1ccccc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 8/20 0.52
CHRM3 P20309 8/20 0.52
CHRM2 P08172 7/20 0.52
CHRM4 P08173 7/20 0.52
CHRM5 P08912 6/20 0.52
CHRNB2 P17787 4/20 0.52
CHRNA4 P43681 4/20 0.52
CHRNA7 P36544 3/20 0.52
HTR1A P08908 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ADRA2A P08913 1/20 0.52
ADRA1A P35348 1/20 0.52
PGR P06401 1/20 0.52
TBXA2R P21731 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA10 Q9GZZ6 1/20 0.52
CHRNA9 Q9UGM1 1/20 0.52
CYP2C19 P33261 2/20 0.50
LMNA P02545 2/20 0.50

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
SCHEMBL119827 0.87 CHRM1 (0.65) CHRM1CHRM3CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL28976379 0.85 CHRM1 (0.62) CHRM1CHRM3CHRM2CHRM4CHRM5
Ammonia Solution, Strong SCHEMBL28268974 0.85 CHRM1 (0.62) CHRM1CHRM3CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL8816437 0.85 CHRM1 (0.67) CHRM1CHRM3CHRM2CHRM4CHRM5
Propionic Acid SCHEMBL23044698 0.83 ADRA2A (0.61) CHRM1CHRM3CHRM2CHRM4CHRM5
Propionic Acid SCHEMBL19617436 0.82 ADRA2A (0.59) CHRM1CHRM3CHRM2CHRM4CHRM5
Acetylcholine SCHEMBL28638398 0.82 CHRM1 (0.79) CHRM1CHRM3CHRM2CHRM4CHRM5
Propionic Acid SCHEMBL23044732 0.77 CHRM1 (0.48) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL2303835 0.76 ADRA2A (0.70) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL9022612 0.75 CHRM1 (0.56) CHRM1CHRM3CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023083322-A1 TRANSDERMALLY ADMINISTERED FORMULATION MATERIAL, PHARMACEUTICAL FORMULATION FOR REALIZING NUCLEIC ACID SKIN DELIVERY, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 武汉瑞佶生物科技有限公司 2023-05-19 WO claimed