Styrene

Styrene

SCHEMBL7043422

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

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.41
ALDH1A1 P00352 3/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
GLA P06280 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PTGS2 P35354 1/20 0.32
MCL1 Q07820 1/20 0.31
RECQL P46063 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30

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 SCHEMBL7043412 1.00 AKR1C3 (0.41) AKR1C3ALDH1A1TSHRHTTNPC1
Styrene SCHEMBL6471967 0.97 AKR1C3 (0.44) AKR1C3ALDH1A1TSHRHTTNPC1
Styrene SCHEMBL3665393 0.92 AKR1C3 (0.49) AKR1C3ALDH1A1TSHRHTTNPC1
Styrene SCHEMBL9879337 0.92 AKR1C3 (0.49) AKR1C3ALDH1A1TSHRHTTNPC1
Styrene SCHEMBL293504 0.89 AKR1C3 (0.52) AKR1C3ALDH1A1TSHRHTTNPC1
Styrene SCHEMBL8068589 0.89 AKR1C3 (0.52) AKR1C3ALDH1A1TSHRHTTNPC1
Styrene SCHEMBL4005344 0.86 AKR1C3 (0.46) AKR1C3ALDH1A1TSHRHTTNPC1
Styrene SCHEMBL21927 0.86 AKR1C3 (0.46) AKR1C3ALDH1A1TSHRHTTNPC1
Styrene SCHEMBL7718196 0.84 AKR1C3 (0.47) AKR1C3ALDH1A1TSHRHTTNPC1
Styrene SCHEMBL10804465 0.84 ALDH1A1 (0.50) AKR1C3ALDH1A1TSHRHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9643360-B2 Self-hardening material and process for layerwise formation of models VOXELJET AG (DE) 2017-05-09 US claimed
US-20040241370-A1 Adhesive composition and adhesive tape for mounting a mirror ROYAL ADHESIVES AND SEALANTS, LLC 2004-12-02 US claimed
WO-2004081131-A2 ADHESIVE COMPOSITION AND ADHESIVE TAPE FOR MOUNTING A MIRROR ROYAL ADHESIVES AND SEALANTS, LLC (US) 2004-09-23 WO claimed
US-20040241370-A1 Adhesive composition and adhesive tape for mounting a mirror ROYAL ADHESIVES AND SEALANTS, LLC 2004-12-02 US disclosed
WO-2004081131-A2 ADHESIVE COMPOSITION AND ADHESIVE TAPE FOR MOUNTING A MIRROR ROYAL ADHESIVES AND SEALANTS, LLC (US) 2004-09-23 WO disclosed