Benzene

Benzene

SCHEMBL9185503

CCOC(=O)CCC(C)=O.c1ccccc1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 1/20 0.48
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
CYP4F2 P78329 3/20 0.46
CYP4A11 Q02928 3/20 0.46
ALDH1A1 P00352 4/20 0.46
TRPA1 O75762 1/20 0.44
LMNA P02545 3/20 0.44
SLC15A2 Q16348 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NR1I2 O75469 1/20 0.43
PGR P06401 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
PTGS2 P35354 1/20 0.43
PDE4D Q08499 1/20 0.43
POLB P06746 2/20 0.42
TSHR P16473 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
Acetic Acid SCHEMBL9524279 0.93 GAA (0.50) SMN1; SMN2CYP1A2MGAMGAASI
Acetic Acid SCHEMBL7695273 0.93 GAA (0.50) SMN1; SMN2CYP1A2MGAMGAASI
Acetic Acid SCHEMBL4559381 0.93 GAA (0.50) SMN1; SMN2CYP1A2MGAMGAASI
Acetic Acid SCHEMBL9528878 0.93 GAA (0.50) SMN1; SMN2CYP1A2MGAMGAASI
Acetic Acid SCHEMBL1326418 0.93 GAA (0.50) SMN1; SMN2CYP1A2MGAMGAASI
Acetic Acid SCHEMBL11060538 0.93 GAA (0.50) SMN1; SMN2CYP1A2MGAMGAASI
Acetic Acid SCHEMBL4558820 0.93 GAA (0.50) SMN1; SMN2CYP1A2MGAMGAASI
Acetic Acid SCHEMBL9525462 0.93 GAA (0.50) SMN1; SMN2CYP1A2MGAMGAASI
Acetic Acid SCHEMBL4559194 0.93 GAA (0.50) SMN1; SMN2CYP1A2MGAMGAASI
Acetic Acid SCHEMBL9525161 0.93 GAA (0.50) SMN1; SMN2CYP1A2MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0371253-B1 Method and reagents for detecting amphetamine and/or d-methamphetamine in biological samples ABBOTT LAB (US) 1995-09-13 EP disclosed
US-5262333-A Fluorescence polarization immunoassay ABBOTT LABORATORIES (US) 1993-11-16 US disclosed
EP-0371253-A2 Method and reagents for detecting amphetamine and/or d-methamphetamine in biological samples ABBOTT LABORATORIES (US) 1990-06-06 EP disclosed
US-4668437-A Novel 20 benzcylamino pregnene derivatives and process for preparing same RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1987-05-26 US disclosed