Styrene

Styrene

SCHEMBL15313173

C=Cc1ccccc1.O=S(=O)(O)O.[MgH2]

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Styrene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
TSHR P16473 3/20 0.67
TDP1 Q9NUW8 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.42
CYP2A6 P11509 1/20 0.40
MCL1 Q07820 1/20 0.39
HDAC8 Q9BY41 2/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 3/20 0.38
AKT1 P31749 1/20 0.38
HDAC3 O15379 1/20 0.38
TNKS O95271 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HCAR2 Q8TDS4 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
TNKS2 Q9H2K2 1/20 0.38

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 SCHEMBL1261405 0.98 ALDH1A1 (0.70) ALDH1A1TSHRTDP1SMN1; SMN2CYP2A6
Styrene SCHEMBL9625915 0.95 ALDH1A1 (0.67) ALDH1A1TSHRTDP1SMN1; SMN2CYP2A6
Styrene SCHEMBL5604788 0.95 ALDH1A1 (0.67) ALDH1A1TSHRTDP1SMN1; SMN2CYP2A6
Styrene SCHEMBL4274360 0.95 ALDH1A1 (0.67) ALDH1A1TSHRTDP1SMN1; SMN2CYP2A6
Styrene SCHEMBL11666360 0.93 ALDH1A1 (0.64) ALDH1A1TSHRTDP1SMN1; SMN2CYP2A6
Styrene SCHEMBL28200088 0.93 ALDH1A1 (0.64) ALDH1A1TSHRTDP1SMN1; SMN2CYP2A6
Styrene SCHEMBL8087550 0.89 ALDH1A1 (0.58) ALDH1A1TSHRTDP1SMN1; SMN2CYP2A6
Styrene SCHEMBL9615578 0.89 ALDH1A1 (0.58) ALDH1A1TSHRTDP1SMN1; SMN2CYP2A6
Styrene SCHEMBL27941064 0.89 ALDH1A1 (0.58) ALDH1A1TSHRTDP1SMN1; SMN2MCL1
Styrene SCHEMBL8526059 0.88 ALDH1A1 (0.64) ALDH1A1TSHRTDP1SMN1; SMN2CYP2A6

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-20130273371-A1 Process for Producing Monodisperse Polystyrene Micro-Particles U.S.A. AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 2013-10-17 US disclosed