SCHEMBL28045144

SCHEMBL28045144

CCCCCCCPc1cccc(C)c1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
P2RX7 Q99572 1/20 0.36
KCNH2 Q12809 2/20 0.35
TLR8 Q9NR97 4/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
TRPA1 O75762 1/20 0.32
ATM Q13315 1/20 0.32
HTT P42858 1/20 0.32
TP53 P04637 1/20 0.31
NR5A2 O00482 1/20 0.31
NR5A1 Q13285 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
RCE1 Q9Y256 1/20 0.31
GPR84 Q9NQS5 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
SCHEMBL28045054 1.00 CNR1 (0.37) CNR1CNR2P2RX7KCNH2TLR8
SCHEMBL28227589 0.98 TLR8 (0.35) CNR1CNR2P2RX7KCNH2TLR8
SCHEMBL28045051 0.93 TRPA1 (0.34) CNR1CNR2P2RX7TLR8ALDH1A1
SCHEMBL28050019 0.85 P2RX7 (0.37) P2RX7KCNH2ALDH1A1MAPK1HTT
SCHEMBL28049977 0.85 P2RX7 (0.37) P2RX7KCNH2ALDH1A1MAPK1HTT
SCHEMBL28226718 0.85 TRPA1 (0.37) ALDH1A1MAPK1TRPA1ATMTP53
SCHEMBL27948032 0.84 HTT (0.32) P2RX7MAPK1ATMHTT
SCHEMBL28863283 0.84 HTT (0.32) P2RX7MAPK1ATMHTT
SCHEMBL27534154 0.77 TSHR (0.36) P2RX7ALDH1A1HTTTP53
SCHEMBL8999868 0.77 ACHE (0.39) ALDH1A1HTT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105163853-B The manufacturing method of cyclic carbonate catalyst for synthesizing 丸善石油化学株式会社 2018-06-12 CN disclosed
CN-105121013-B The manufacture method of cyclic carbonate catalyst for synthesizing 丸善石油化学株式会社 2017-10-20 CN disclosed
CN-105163853-A Method for manufacturing catalyst for synthesizing cyclic carbonate MARUZEN PETROCHEM CO LTD 2015-12-16 CN disclosed
CN-105163854-A Method for producing catalyst for synthesizing cyclic carbonate NAT INST OF ADVANCED IND SCIEN 2015-12-16 CN disclosed
CN-105121013-A Method for producing catalyst for cyclic carbonate synthesis MARUZEN PETROCHEM CO LTD 2015-12-02 CN disclosed