SCHEMBL8766265

SCHEMBL8766265

C[C](C)COOC(C)(C)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.59
ALDH1A1 P00352 2/20 0.50
ALOX15 P16050 1/20 0.50
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
KCNN4 O15554 1/20 0.33
CHRM3 P20309 3/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32

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
SCHEMBL9354533 0.85 MAPK1 (0.55) MAPK1ALDH1A1ALOX15CYP2C19HIF1A
SCHEMBL28103978 0.79 MAPK1 (0.85) MAPK1ALDH1A1ALOX15CYP2C19HIF1A
Hydrogen Peroxide SCHEMBL22163808 0.79 MAPK1 (0.94) MAPK1ALDH1A1ALOX15CYP2C19HIF1A
SCHEMBL28682767 0.78 MAPK1 (0.67) MAPK1ALDH1A1ALOX15CYP2C19HIF1A
SCHEMBL9244855 0.77 MAPK1 (0.59) MAPK1ALDH1A1ALOX15CYP2C19HIF1A
Methyl Alcohol SCHEMBL28217041 0.77 MAPK1 (0.90) MAPK1ALDH1A1ALOX15CYP2C19HIF1A
Benzene SCHEMBL25312146 0.76 MAPK1 (1.00) MAPK1ALDH1A1ALOX15CYP2C19HIF1A
SCHEMBL15450 0.76 MAPK1 (1.00) MAPK1ALDH1A1ALOX15CYP2C19HIF1A
SCHEMBL8939342 0.76 MAPK1 (1.00) MAPK1ALDH1A1ALOX15CYP2C19HIF1A
SCHEMBL27506519 0.76 MAPK1 (1.00) MAPK1ALDH1A1ALOX15CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0785957-A1 NON-LINEAR STYRENIC POLYMER COMPOSITIONS AND ARTICLES PREPARED THEREFROM THE DOW CHEMICAL COMPANY (US) 1997-07-30 EP disclosed
EP-0785964-A1 NON-LINEAR STYRENIC POLYMER-BASED FOAMS THE DOW CHEMICAL COMPANY (US) 1997-07-30 EP disclosed
WO-1996011962-A1 NON-LINEAR STYRENIC POLYMER COMPOSITIONS AND ARTICLES PREPARED THEREFROM THE DOW CHEMICAL COMPANY (US) 1996-04-25 WO disclosed
WO-1996011970-A1 NON-LINEAR STYRENIC POLYMER-BASED FOAMS THE DOW CHEMICAL COMPANY (US) 1996-04-25 WO disclosed