SCHEMBL9354533

SCHEMBL9354533

C=C(C)COOC(C)(C)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.55
ALDH1A1 P00352 4/20 0.47
ALOX15 P16050 1/20 0.47
GPR174 Q9BXC1 1/20 0.36
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 2/20 0.32
KMT2A Q03164 1/20 0.32
KCNN4 O15554 1/20 0.32
HTT P42858 2/20 0.31
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL8766265 0.85 MAPK1 (0.59) MAPK1ALDH1A1ALOX15CYP2C19HIF1A
SCHEMBL27010647 0.81 ALDH1A1 (0.50) MAPK1ALDH1A1ALOX15GPR174CYP2C19
SCHEMBL9244855 0.78 MAPK1 (0.59) MAPK1ALDH1A1ALOX15CYP2C19HIF1A
SCHEMBL31065567 0.77 MAPK1 (0.59) MAPK1ALDH1A1ALOX15CYP2C19HIF1A
SCHEMBL8766309 0.77 MAPK1 (0.64) MAPK1ALDH1A1ALOX15CYP2C19HIF1A
SCHEMBL28103978 0.76 MAPK1 (0.85) MAPK1ALDH1A1ALOX15CYP2C19HIF1A
Hydrogen Peroxide SCHEMBL22163808 0.76 MAPK1 (0.94) MAPK1ALDH1A1ALOX15CYP2C19HIF1A
SCHEMBL30174380 0.76 MAPK1 (0.61) MAPK1ALDH1A1ALOX15CYP2C19HIF1A
SCHEMBL28682767 0.75 MAPK1 (0.67) MAPK1ALDH1A1ALOX15CYP2C19HIF1A
SCHEMBL28970881 0.74 MAPK1 (0.65) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0322945-B1 Modification of (co)polymers employing organic peroxides AKZO NOBEL NV (NL) 1994-11-02 EP claimed
US-5037892-A Epoxidation Of Olefin Polymers AKZO N.V. (NL) 1991-08-06 US claimed
EP-0322945-B1 Modification of (co)polymers employing organic peroxides AKZO NOBEL NV (NL) 1994-11-02 EP disclosed
US-5202386-A Adhesion to polar material AKZO NV (NL) 1993-04-13 US disclosed
US-5037892-A Epoxidation Of Olefin Polymers AKZO N.V. (NL) 1991-08-06 US disclosed
EP-0322945-A1 Modification of (co)polymers employing organic peroxides Akzo Nobel N.V. (NL) 1989-07-05 EP disclosed