Benzene

Benzene

SCHEMBL6653333

CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2cc(O)ccc2O1.c1ccccc1

nearest known ligand 0.87

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 13/20 0.87
LMNA P02545 3/20 0.65
NR1I2 O75469 2/20 0.55
ALOX5 P09917 1/20 0.54
PDPK1 O15530 1/20 0.52
PHLPP1 O60346 1/20 0.52
ILK Q13418 1/20 0.52
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
GSTP1 P09211 1/20 0.50
TTPA P49638 1/20 0.50
KMT2A Q03164 1/20 0.50
USP2 O75604 1/20 0.50
THRB P10828 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 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
SCHEMBL29920786 0.98 AKT1 (0.91) AKT1LMNANR1I2ALOX5PDPK1
SCHEMBL9356622 0.98 AKT1 (0.91) AKT1LMNANR1I2ALOX5PDPK1
SCHEMBL74101 0.98 AKT1 (0.91) AKT1LMNANR1I2ALOX5PDPK1
SCHEMBL29928367 0.98 AKT1 (0.91) AKT1LMNANR1I2ALOX5PDPK1
SCHEMBL14273379 0.98 AKT1 (0.91) AKT1LMNANR1I2ALOX5PDPK1
SCHEMBL23295126 0.98 AKT1 (0.91) AKT1LMNANR1I2ALOX5PDPK1
SCHEMBL21408660 0.98 AKT1 (0.91) AKT1LMNANR1I2ALOX5PDPK1
Acetic Acid SCHEMBL9356676 0.95 AKT1 (0.81) AKT1LMNANR1I2ALOX5PDPK1
SCHEMBL15441415 0.93 AKT1 (1.00) AKT1LMNANR1I2ALOX5PDPK1
SCHEMBL9356878 0.89 AKT1 (0.74) AKT1LMNANR1I2ALOX5PDPK1

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
EP-1426368-A1 METHOD FOR EXTRACTING AND PURIFYING NATURAL TOCOPHEROLS AND STEROLS BY ESTERIFICATION WITH TRIMETHYL PROPANE Vitae - Caps, S.A. (ES) 2004-06-09 EP disclosed