Styrene

Styrene

SCHEMBL4619670

C=C(C)C(=O)OCCCCCCCC(C)C.C=Cc1ccccc1

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
POLB P06746 1/20 0.48
APEX1 P27695 1/20 0.48
TSHR P16473 5/20 0.46
RARB P10826 1/20 0.38
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MMP9 P14780 1/20 0.36
ESR1 P03372 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PPIA P62937 1/20 0.34
THRB P10828 1/20 0.34
LMNA P02545 1/20 0.34

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 SCHEMBL28609445 0.95 TSHR (0.45) HTTTDP1POLBAPEX1TSHR
SCHEMBL28857326 0.89 TSHR (0.44) HTTTDP1POLBAPEX1TSHR
Styrene SCHEMBL28739828 0.87 TSHR (0.44) HTTTDP1POLBAPEX1TSHR
Styrene SCHEMBL6562348 0.87 TDP1 (0.50) HTTTDP1POLBAPEX1TSHR
Styrene SCHEMBL28941935 0.86 TSHR (0.43) HTTTDP1POLBAPEX1TSHR
Styrene SCHEMBL28931354 0.86 TSHR (0.39) HTTTDP1POLBAPEX1TSHR
Styrene SCHEMBL9304732 0.86 TSHR (0.55) HTTTDP1POLBAPEX1TSHR
Styrene SCHEMBL2417399 0.86 ALDH1A1 (0.37) HTTTDP1POLBAPEX1RARB
Styrene SCHEMBL6762849 0.86 TSHR (0.65) HTTTDP1POLBAPEX1TSHR
Styrene SCHEMBL1984291 0.86 TSHR (0.65) HTTTDP1POLBAPEX1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4001164-A A COLORANT; FILM-FORMER; CARRIER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-01-04 US claimed
EP-1379329-B1 A CONTINUOUS PROCESS FOR THE PRODUCTION OF COMBINATORIAL LIBRARIES OF MATERIALS 3M INNOVATIVE PROPERTIES CO (US) 2008-07-09 EP disclosed
EP-1379329-A2 A CONTINUOUS PROCESS FOR THE PRODUCTION OF COMBINATORIAL LIBRARIES OF MATERIALS 3M Innovative Properties Company (US) 2004-01-14 EP disclosed
US-20030035756-A1 Continuous process for the production of combinatorial libraries of materials 3M INNOVATIVE PROPERTIES COMPANY 2003-02-20 US disclosed
WO-2002081079-A2 A CONTINUOUS PROCESS FOR THE PRODUCTION OF COMBINATORIAL LIBRARIES OF MATERIALS 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-10-17 WO disclosed
US-4001164-A A COLORANT; FILM-FORMER; CARRIER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-01-04 US disclosed