Styrene

Styrene

SCHEMBL28494530

C=CC(=O)OC(C)C.C=Cc1ccccc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
AKR1B10 O60218 1/20 0.42
AKR1B1 P15121 1/20 0.42
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
HCAR2 Q8TDS4 2/20 0.40
PTGS2 P35354 1/20 0.40
THRB P10828 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38

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
Styrene SCHEMBL8982592 0.92 TSHR (0.41) TSHRALDH1A1CA12CA1CA2
Styrene SCHEMBL20186899 0.87 ALDH1A1 (0.45) TSHRALDH1A1HCAR2PTGS2THRB
Isopropyl Fumarate SCHEMBL11405880 0.85 HCAR2 (0.62) TSHRALDH1A1CA12CA1CA2
Styrene SCHEMBL27904886 0.85 HCAR2 (0.58) TSHRALDH1A1HCAR2PTGS2THRB
Isopropyl Fumarate SCHEMBL8814223 0.85 HCAR2 (0.62) TSHRALDH1A1CA12CA1CA2
Styrene SCHEMBL10663818 0.83 ALDH1A1 (0.41) TSHRALDH1A1HCAR2PTGS2THRB
Styrene SCHEMBL27455883 0.83 ALDH1A1 (0.48) TSHRALDH1A1HCAR2PTGS2THRB
Phthalic Acid SCHEMBL335919 0.83 ALDH1A1 (0.48) TSHRALDH1A1CA12CA1CA2
Styrene SCHEMBL8518132 0.83 ALDH1A1 (0.48) TSHRALDH1A1HCAR2PTGS2THRB
Styrene SCHEMBL27629074 0.80 ALDH1A1 (0.54) TSHRALDH1A1CA12CA1CA2

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
CN-112063374-A Plugging agent 中海油田服务股份有限公司 2020-12-11 CN claimed
CN-112063374-A Plugging agent 中海油田服务股份有限公司 2020-12-11 CN disclosed