Styrene

Styrene

SCHEMBL28076081

C=Cc1ccccc1.C=Cc1ccccc1.COCC1CO1.COCC1CO1

nearest known ligand 0.47

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 5/20 0.47
TSHR P16473 4/20 0.47
GLA P06280 1/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MGLL Q99685 3/20 0.40
TP53 P04637 3/20 0.39
HIF1A Q16665 2/20 0.39
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
PPARG P37231 1/20 0.35

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 SCHEMBL1355033 0.86 ALDH1A1 (0.50) TDP1ALDH1A1TSHRGLAMEN1
Styrene SCHEMBL28852967 0.83 ALDH1A1 (0.38) TDP1ALDH1A1TSHRGLAMEN1
Styrene SCHEMBL28699410 0.83 TDP1 (0.47) TDP1ALDH1A1TSHRGLAMEN1
Styrene SCHEMBL28934083 0.81 TDP1 (0.45) TDP1ALDH1A1TSHRGLAMEN1
Styrene SCHEMBL29150889 0.80 TDP1 (0.44) TDP1ALDH1A1TSHRGLAMEN1
Styrene SCHEMBL28960149 0.79 TDP1 (0.41) TDP1ALDH1A1TSHRGLAMEN1
Styrene SCHEMBL7624003 0.78 ALDH1A1 (0.71) TDP1ALDH1A1TSHRGLAMEN1
SCHEMBL10824732 0.78 MGLL (0.53) TDP1ALDH1A1TSHRGLAMGLL
Phenol SCHEMBL8938658 0.77 TDP1 (0.52) TDP1ALDH1A1TSHRGLAMEN1
Styrene SCHEMBL670007 0.77 MGLL (0.56) TDP1MGLL

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
CN-105732604-A Compound as dye 住友化学株式会社 2016-07-06 CN disclosed