SCHEMBL19200293

SCHEMBL19200293

CCC(C)(c1ccc(C)cc1)c1ccc(C)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
ACHE P22303 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA7 P43166 1/20 0.39
HPGD P15428 1/20 0.38
ESR1 P03372 3/20 0.37
ESR2 Q92731 2/20 0.37
AR P10275 1/20 0.37
CA5A P35218 1/20 0.35
KIF11 P52732 3/20 0.35
IDO1 P14902 1/20 0.35
CYP19A1 P11511 1/20 0.34
BCHE P06276 1/20 0.34
MEN1 O00255 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
SCHEMBL822723 0.89 ACHE (0.54) TSHRACHEMAPTHPGDESR1
SCHEMBL24555480 0.89 ACHE (0.54) TSHRACHENPC1MAPTRAB9A
SCHEMBL10631874 0.89 TSHR (0.44) TSHRACHETDP1NPC1MAPT
SCHEMBL20133387 0.87 MAPT (0.50) TSHRACHETDP1NPC1MAPT
SCHEMBL28305275 0.85 TSHR (0.41) TSHRACHENPC1MAPTRAB9A
SCHEMBL12156568 0.85 ACHE (0.58) TSHRACHETDP1NPC1MAPT
SCHEMBL21183308 0.84 TSHR (0.40) TSHRNPC1MAPTRAB9AHPGD
SCHEMBL25752511 0.80 TSHR (0.36) TSHRACHENPC1MAPTRAB9A
SCHEMBL19981757 0.79 TSHR (0.55) TSHRACHETDP1NPC1MAPT
SCHEMBL2230579 0.79 TSHR (0.55) TSHRACHETDP1NPC1MAPT

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
CN-109852444-A A kind of preparation method of Gasoline octane number enhancer 山东聚兴新材料科技有限公司 2019-06-07 CN claimed
CN-109852443-A A kind of Gasoline octane number enhancer and preparation method thereof 山东聚兴新材料科技有限公司 2019-06-07 CN claimed
CN-109852444-A A kind of preparation method of Gasoline octane number enhancer 山东聚兴新材料科技有限公司 2019-06-07 CN disclosed
CN-109852443-A A kind of Gasoline octane number enhancer and preparation method thereof 山东聚兴新材料科技有限公司 2019-06-07 CN disclosed
US-20170218273-A1 FLAME-RETARDANT EPOXY RESIN, METHOD FOR PREPARING SAME, AND FLAME-RETARDANT EPOXY RESIN COMPOSITION CONTAINING SAME KOLON INDUSTRIES, INC. (KR) 2017-08-03 US disclosed
CN-102300841-B Phenolic compound and recording material NIPPON SODA CO 2014-03-12 CN disclosed