Styrene

Styrene

SCHEMBL6811286

C=Cc1ccccc1.CCCN(CC)CC

nearest known ligand 0.54

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Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
TSHR P16473 2/20 0.54
SIGMAR1 Q99720 2/20 0.42
KCNH2 Q12809 6/20 0.40
HTR1A P08908 2/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
HTR2A P28223 1/20 0.37

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 SCHEMBL2961501 0.96 ALDH1A1 (0.54) ALDH1A1TSHRSIGMAR1KCNH2HTR1A
Styrene SCHEMBL11175990 0.90 ALDH1A1 (0.56) ALDH1A1TSHRHTR1ADRD1OPRM1
Styrene SCHEMBL6812254 0.89 ALDH1A1 (0.50) ALDH1A1TSHRSIGMAR1KCNH2HTR1A
Styrene SCHEMBL1663550 0.88 ALDH1A1 (0.64) ALDH1A1TSHRSIGMAR1KCNH2HTR1A
Styrene SCHEMBL11165129 0.87 ALDH1A1 (0.48) ALDH1A1TSHRSIGMAR1KCNH2HTR1A
Styrene SCHEMBL7530469 0.86 ALDH1A1 (0.61) ALDH1A1TSHRSIGMAR1KCNH2HTR1A
Styrene SCHEMBL11055010 0.85 KCNH2 (0.51) ALDH1A1TSHRSIGMAR1KCNH2HTR1A
Styrene SCHEMBL9771675 0.82 ALDH1A1 (0.56) ALDH1A1TSHRSIGMAR1DRD3
Styrene SCHEMBL6811106 0.82 ALDH1A1 (0.56) ALDH1A1TSHRSIGMAR1OPRM1DRD3
Styrene SCHEMBL11056213 0.82 KCNH2 (0.61) ALDH1A1TSHRSIGMAR1KCNH2HTR1A

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
EP-0864592-B1 DIENE RUBBER ZEON CORP (JP) 2004-09-22 EP disclosed
US-6211321-B1 CONTAINING A TERTIARY AMINO-CONTAINING VINYL MONOMER AND A HALOGEN CONTAINING VONYL MONOMER NIPPON ZEON CO., LTD. (JP) 2001-04-03 US disclosed