SCHEMBL17826646

SCHEMBL17826646

CC(C)(O)CC(C)(C)[PH](c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
RIPK1 Q13546 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HIF1A Q16665 1/20 0.31
TTR P02766 1/20 0.31
TAAR1 Q96RJ0 2/20 0.30
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30
SLC6A2 P23975 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
SCHEMBL14823910 0.83 POLB (0.40) POLBRIPK1CYP2D6TAAR1LMNA
SCHEMBL24486721 0.79 TAAR1 (0.43) POLBTAAR1SLC6A2
SCHEMBL26229171 0.76 TP53 (0.35) RIPK1ALDH1A1MEN1KMT2AGAA
SCHEMBL20460278 0.75 SLC6A2 (0.44) ALDH1A1CYP2C19CYP2D6HIF1ATAAR1
SCHEMBL24240340 0.75 TSHR (0.36) POLBRIPK1MEN1KMT2ATSHR
SCHEMBL24230507 0.72 RIPK1 (0.42) POLBRIPK1TAAR1SLC6A2
SCHEMBL20219018 0.72 POLB (0.33) POLBALDH1A1MEN1KMT2AGAA
SCHEMBL20460255 0.72
SCHEMBL14583067 0.71 HSD11B1 (0.35) ALDH1A1MEN1KMT2AGAAPKM
SCHEMBL20777014 0.71 RIPK1 (0.34) RIPK1ALDH1A1GAACYP2C19CYP2D6

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-9365597-B2 Mitochondria-targeted inhibitors of cytochrome c peroxidase for protection from apoptosis University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2016-06-14 US disclosed