Benzene

Benzene

SCHEMBL3430618

C=Cc1cccc(C=C)c1C=C.c1ccccc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 2/20 0.32
TP53 P04637 1/20 0.32
SLC9A1 P19634 2/20 0.32
NFE2L2 Q16236 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL18301 0.97 ALDH1A1 (0.48) ALDH1A1TSHRTDP1TP53SLC9A1
SCHEMBL28917788 0.94 ALDH1A1 (0.46) ALDH1A1TSHRTDP1TP53SLC9A1
Butadiene SCHEMBL27714941 0.92 ALDH1A1 (0.44) ALDH1A1TSHRTDP1TP53SLC9A1
SCHEMBL8440886 0.92 ALDH1A1 (0.50) ALDH1A1TSHRTDP1TP53SLC9A1
Bicarbonate SCHEMBL10785635 0.90 ALDH1A1 (0.39) ALDH1A1TSHRSLC9A1NFE2L2
Styrene SCHEMBL27829265 0.88 ALDH1A1 (0.64) ALDH1A1TSHRTDP1TP53NFE2L2
Styrene SCHEMBL27325031 0.88 ALDH1A1 (0.64) ALDH1A1TSHRTDP1TP53NFE2L2
SCHEMBL6554695 0.87 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL16390893 0.87 ALDH1A1 (0.55) ALDH1A1TSHRTDP1TP53MEN1
Styrene SCHEMBL27756866 0.86 ALDH1A1 (0.61) ALDH1A1TSHRTDP1TP53SLC9A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0844317-B1 Fluorine cell MINNESOTA MINING & MFG (US) 2001-10-17 EP claimed
CN-104736610-A Acrylic film, process for producing the same, laminated film, laminated injection molded article, and process for producing rubber-containing polymer MITSUBISHI RAYON CO 2015-06-24 CN disclosed
CN-104520360-A Acrylic resin film and retroreflective sheet MITSUBISHI RAYON CO 2015-04-15 CN disclosed
US-8664185-B2 Method for preparing polyphenol extracts from spinach leaves NATUREX (FR) 2014-03-04 US disclosed
US-20120196818-A1 METHOD FOR PREPARING POLYPHENOL EXTRACTS FROM SPINACH LEAVES BURGUNDY (FR) 2012-08-02 US disclosed
CN-102596406-A Catalyst for bisphenol compound production and method for producing bisphenol compound MITSUBISHI CHEM CORP 2012-07-18 CN disclosed
WO-2010128243-A1 METHOD FOR PREPARING POLYPHENOL EXTRACTS FROM SPINACH LEAVES BURGUNDY (FR) 2010-11-11 WO disclosed