Benzene

Benzene

SCHEMBL2865296

CC(O)CO.CCOCC.c1ccccc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC5A2

The experimentally established mechanism targets of Benzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
TSHR P16473 5/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 1/20 0.37
LMNA P02545 2/20 0.37
TRPA1 O75762 5/20 0.32
POLB P06746 1/20 0.31
USP2 O75604 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
Propylene Glycol SCHEMBL35797 0.92 TDP1 (0.62) TDP1TSHRALDH1A1HSD17B10LMNA
Propylene Glycol SCHEMBL18285762 0.92 TDP1 (0.62) TDP1TSHRALDH1A1HSD17B10LMNA
Propylene Glycol SCHEMBL4936361 0.92 TDP1 (0.62) TDP1TSHRALDH1A1HSD17B10LMNA
Propylene Glycol SCHEMBL6135352 0.89 TDP1 (0.59) TDP1TSHRALDH1A1HSD17B10LMNA
Propylene Glycol SCHEMBL8231638 0.89 TDP1 (0.59) TDP1TSHRALDH1A1HSD17B10LMNA
Biphenyl SCHEMBL2505116 0.87 LMNA (0.42) TDP1TSHRALDH1A1LMNATRPA1
Propylene Glycol SCHEMBL93425 0.86 TDP1 (0.56) TDP1TSHRALDH1A1HSD17B10LMNA
Propylene Glycol SCHEMBL3418653 0.86 TDP1 (0.56) TDP1TSHRALDH1A1HSD17B10LMNA
Propylene Glycol SCHEMBL28174906 0.86 TDP1 (0.56) TDP1TSHRALDH1A1HSD17B10LMNA
Propylene Glycol SCHEMBL15659730 0.86 TDP1 (0.56) TDP1TSHRALDH1A1HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150747-B2 Self designed fashion wear and other articles MY DESIGN LIMITED (HK) 2015-10-06 US claimed
US-20100320102-A1 SELF DESIGNED FASHION WEAR AND OTHER ARTICLES MY DESIGN LTD. (HK) 2010-12-23 US claimed
EP-2084238-A1 SELF DESIGNED FASHION WEAR AND OTHER ARTICLES My Design Limited (HK) 2009-08-05 EP claimed
WO-2008050338-A1 SELF DESIGNED FASHION WEAR AND OTHER ARTICLES MY DESIGN LIMITED (HK) 2008-05-02 WO claimed
US-9150747-B2 Self designed fashion wear and other articles MY DESIGN LIMITED (HK) 2015-10-06 US disclosed
US-20100320102-A1 SELF DESIGNED FASHION WEAR AND OTHER ARTICLES MY DESIGN LTD. (HK) 2010-12-23 US disclosed
EP-2084238-A1 SELF DESIGNED FASHION WEAR AND OTHER ARTICLES My Design Limited (HK) 2009-08-05 EP disclosed
WO-2008050338-A1 SELF DESIGNED FASHION WEAR AND OTHER ARTICLES MY DESIGN LIMITED (HK) 2008-05-02 WO disclosed