Styrene

Styrene

SCHEMBL9722971

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

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
LMNA P02545 5/20 0.41
APP P05067 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MCL1 Q07820 2/20 0.36
MAPT P10636 3/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL440147 0.95 LMNA (0.44) CYP3A4LMNAAPPHDAC3HDAC4
Butadiene SCHEMBL10346224 0.94 LMNA (0.41) CYP3A4LMNAAPPHDAC3HDAC4
Ethylene SCHEMBL28290777 0.94 LMNA (0.43) CYP3A4LMNAAPPHDAC3HDAC4
Styrene SCHEMBL9581006 0.90 ALDH1A1 (0.37) LMNAAPPALDH1A1MAPTHTT
Fumaric Acid SCHEMBL16779979 0.90 LMNA (0.39) CYP3A4LMNAAPPHDAC3HDAC4
SCHEMBL11130616 0.89 LMNA (0.45) CYP3A4LMNAAPPHDAC3HDAC4
Styrene SCHEMBL7744977 0.89 CYP3A4 (0.46) CYP3A4LMNAHDAC3HDAC4HDAC1
Styrene SCHEMBL16395646 0.86 MAPT (0.44) CYP3A4LMNAALDH1A1MCL1MAPT
Styrene SCHEMBL465034 0.86 ALDH1A1 (0.44) LMNAALDH1A1MAPTHTTKDM4E
SCHEMBL9578322 0.85 CYP3A4 (0.41) CYP3A4LMNAHDAC3HDAC4HDAC1

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
US-5080968-A Molding materials THE B. F. GOODRICH COMPANY (US) 1992-01-14 US disclosed