SCHEMBL8934671

SCHEMBL8934671

C=CC(OCC)OOC(C)(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.37
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.30
TAAR1 Q96RJ0 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
SCHEMBL7685056 0.78 MAPK1 (0.46) MAPK1ALDH1A1ALOX15MEN1KMT2A
SCHEMBL7685059 0.78 MAPK1 (0.46) MAPK1ALDH1A1ALOX15MEN1KMT2A
SCHEMBL9354340 0.76 MAPK1 (0.55) MAPK1ALDH1A1ALOX15TSHRHTT
SCHEMBL8934729 0.75
SCHEMBL8934715 0.70 LMNA (0.30)
Propane SCHEMBL481265 0.70 MAPK1 (0.85) MAPK1ALDH1A1ALOX15KMT2ATAAR1
SCHEMBL11836994 0.70 MAPK1 (0.52) MAPK1ALDH1A1ALOX15MEN1KMT2A
SCHEMBL28682767 0.69 MAPK1 (0.67) MAPK1ALDH1A1ALOX15TAAR1
SCHEMBL5808591 0.69 MAPK1 (0.67) MAPK1ALDH1A1ALOX15KMT2ATSHR
Butane SCHEMBL365415 0.68 MAPK1 (0.81) MAPK1ALDH1A1ALOX15KMT2ATAAR1

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
WO-1996030415-A1 ALKOXY ALLYL (DI)PEROXIDE CHAIN TRANSFER AGENTS AKZO NOBEL N.V. (NL) 1996-10-03 WO disclosed