Benzene

Benzene

SCHEMBL27587293

CCCCCC(=O)OCC.c1ccccc1

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.63
PAM P19021 2/20 0.62
CYP1A2 P05177 1/20 0.57
TSHR P16473 2/20 0.53
MAPT P10636 1/20 0.53
CYP4F2 P78329 1/20 0.53
CYP4A11 Q02928 1/20 0.53
ALDH1A1 P00352 3/20 0.52
LMNA P02545 3/20 0.52
DNM1 Q05193 1/20 0.52
CYP3A4 P08684 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 1/20 0.50
DUSP3 P51452 1/20 0.50
AKR1B1 P15121 1/20 0.50
NR1I2 O75469 1/20 0.50
PGR P06401 1/20 0.50
ADORA3 P0DMS8 1/20 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
Benzene SCHEMBL9428840 0.98 DGKA (0.67) DGKAPAMCYP1A2TSHRMAPT
SCHEMBL37297 0.93 DGKA (0.71) DGKAPAMCYP1A2TSHRMAPT
SCHEMBL31352662 0.93 DGKA (0.71) DGKAPAMCYP1A2TSHRMAPT
SCHEMBL19252993 0.91 DGKA (0.68) DGKAPAMCYP1A2TSHRMAPT
SCHEMBL1506909 0.91 DGKA (0.68) DGKAPAMCYP1A2TSHRMAPT
SCHEMBL454 0.91 DGKA (0.75) DGKAPAMCYP1A2TSHRMAPT
Hexane SCHEMBL2349171 0.91 DGKA (0.75) DGKAPAMCYP1A2TSHRMAPT
SCHEMBL116995 0.91 DGKA (0.75) DGKAPAMCYP1A2TSHRMAPT
SCHEMBL2309907 0.91 DGKA (0.68) DGKAPAMCYP1A2TSHRMAPT
SCHEMBL8375548 0.91 DGKA (0.75) DGKAPAMCYP1A2TSHRMAPT

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-110300791-A Quantum dot dispersion, self-luminous photosensitive resin composition, color filter, and image display device 东友精细化工有限公司 2019-10-01 CN claimed
CN-110300791-A Quantum dot dispersion, self-luminous photosensitive resin composition, color filter, and image display device 东友精细化工有限公司 2019-10-01 CN disclosed
CN-1391556-A novel IL-8 receptor antagonists FOURNIER IND & SANTE (FR) 2003-01-15 CN disclosed