Benzene

Benzene

SCHEMBL11802478

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

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
LMNA P02545 2/20 0.43
FFAR3 O14843 1/20 0.40
LCK P06239 1/20 0.40
FYN P06241 1/20 0.40
AKT1 P31749 1/20 0.38
AKR1C3 P42330 1/20 0.35
GLA P06280 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TSHR P16473 4/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
TP53 P04637 1/20 0.33
TGM2 P21980 1/20 0.33
NAPRT Q6XQN6 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FGFR4 P22455 1/20 0.32
THPO P40225 1/20 0.31
HPGD P15428 1/20 0.31
MAPT P10636 1/20 0.31

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
Butadiene SCHEMBL4649606 0.89
Butadiene SCHEMBL716219 0.85
Methacrylic Acid SCHEMBL17592728 0.84 ALDH1A1 (0.40) ALDH1A1LMNAFFAR3LCKFYN
Methacrylic Acid SCHEMBL28091982 0.82 ALDH1A1 (0.38) ALDH1A1LMNAFFAR3LCKFYN
Phenol SCHEMBL28589271 0.82 GLA (0.52) ALDH1A1LMNAAKT1AKR1C3GLA
Butadiene SCHEMBL11356506 0.81
Butadiene SCHEMBL3329730 0.81 FFAR3 (0.54) ALDH1A1LMNAFFAR3LCKFYN
Butadiene SCHEMBL22193911 0.81 FFAR3 (0.54) ALDH1A1LMNAFFAR3LCKFYN
Benzene SCHEMBL11152373 0.80 LMNA (0.67) ALDH1A1LMNAFFAR3LCKFYN
Benzene SCHEMBL10771333 0.80 LMNA (0.67) ALDH1A1LMNAFFAR3LCKFYN

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
US-3971884-A Ethylene-vinyl acetate silicone rubber adherent laminates and method of production NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1976-07-27 US disclosed