Benzene

Benzene

SCHEMBL8710740

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

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.41
TSHR P16473 3/20 0.39
MAPK1 P28482 3/20 0.36
HIF1A Q16665 2/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPT P10636 1/20 0.35
ELANE P08246 1/20 0.34
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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 SCHEMBL9316374 0.95 THRB (0.45) THRBTSHRMAPK1HIF1AALDH1A1
Acrylic Acid SCHEMBL2692828 0.88 THRB (0.46) THRBTSHRMAPK1HIF1AALDH1A1
Propene SCHEMBL28137471 0.88 THRB (0.45) THRBTSHRMAPK1HIF1AALDH1A1
SCHEMBL28149678 0.88 THRB (0.48) THRBTSHRMAPK1HIF1AALDH1A1
SCHEMBL23636 0.88 THRB (0.48) THRBTSHRMAPK1HIF1AALDH1A1
Styrene SCHEMBL9460991 0.86 KMT2A (0.42) THRBTSHRMAPK1HIF1AALDH1A1
Methacrylic Acid SCHEMBL28069852 0.86 THRB (0.44) THRBTSHRMAPK1HIF1AALDH1A1
SCHEMBL10391726 0.86 THRB (0.47) THRBTSHRMAPK1HIF1AALDH1A1
SCHEMBL5884750 0.86 THRB (0.47) THRBTSHRMAPK1HIF1AALDH1A1
SCHEMBL28120744 0.86 THRB (0.47) THRBTSHRMAPK1HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0876427-A1 POLYOLEFIN ELASTOMER BLENDS EXHIBITING IMPROVED PROPERTIES THE DOW CHEMICAL COMPANY (US) 1998-11-11 EP disclosed
WO-1997026297-A1 POLYOLEFIN ELASTOMER BLENDS EXHIBITING IMPROVED PROPERTIES THE DOW CHEMICAL COMPANY (US) 1997-07-24 WO disclosed