SCHEMBL28297060

SCHEMBL28297060

CC(C)(c1ccco1)C(C)(C)c1ccco1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 6/20 0.33
MEN1 O00255 6/20 0.33
KMT2A Q03164 6/20 0.33
POLB P06746 5/20 0.33
KDM4E B2RXH2 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
PKM P14618 2/20 0.33
ALOX12 P18054 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL2616451 0.90 MAPT (0.46) MAPTTP53CYP3A4CYP2D6CYP2C9
SCHEMBL4983413 0.83 MAPT (0.48) MAPTTP53CYP3A4CYP2D6CYP2C9
SCHEMBL181942 0.83 MAPT (0.48) MAPTTP53CYP3A4CYP2D6CYP2C9
SCHEMBL418090 0.83
SCHEMBL28217512 0.81
SCHEMBL15796374 0.81 MAPT (0.47) MAPTTP53CYP3A4CYP2D6CYP2C9
SCHEMBL7629307 0.79
SCHEMBL2325591 0.79
SCHEMBL20734518 0.79
SCHEMBL13994295 0.79

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
CN-109734959-A A kind of heat-resistance type radical initiator and its preparation method and application 清远市普塞呋磷化学有限公司 2019-05-10 CN disclosed