SCHEMBL19458161

SCHEMBL19458161

CCc1cc[n+](CC)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
TRPA1 O75762 1/20 0.35
CYP2A6 P11509 2/20 0.34
CYP1A2 P05177 1/20 0.34
KIF11 P52732 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
ALOX5 P09917 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
POLB P06746 1/20 0.31
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 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
SCHEMBL2869048 0.77 HTT (0.34) CYP2A6CYP1A2NPC1RAB9ASMN1; SMN2
SCHEMBL19458202 0.76 TP53 (0.39) TP53TRPA1CYP2A6CYP1A2NOS3
Hydrochloric Acid SCHEMBL9327498 0.76 KDM4E (0.34) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL12161712 0.74 CYP2A6 (0.39) TP53TRPA1CYP2A6CYP1A2NOS3
SCHEMBL29561231 0.67 CA2 (0.39) TP53CYP2A6TAAR1ALOX5PTGS1
SCHEMBL641259 0.67 CA2 (0.39) TP53CYP2A6TAAR1ALOX5PTGS1
SCHEMBL5304573 0.66 TP53 (0.48) TP53CYP2A6CYP1A2TAAR1NPC1
SCHEMBL4895324 0.65 MEN1 (0.34) TP53TRPA1CYP2A6CYP1A2NPC1
SCHEMBL627705 0.65
SCHEMBL29822577 0.65

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
EP-3232455-B1 NONAQUEOUS ELECTROLYTE SOLUTION FOR ELECTRIC DOUBLE LAYER CAPACITORS OTSUKA CHEMICAL CO LTD (JP) 2023-10-25 EP disclosed
US-10914987-B2 Complex and optical element KYOTO UNIVERSITY (JP) 2021-02-09 US disclosed
US-20200241336-A1 COMPLEX AND OPTICAL ELEMENT KYOTO UNIVERSITY (JP) 2020-07-30 US disclosed
US-10593488-B2 Nonaqueous electrolytic solution for electric double layer capacitors OTSUKA CHEMICAL CO., LTD. (JP) 2020-03-17 US disclosed
US-20170330700-A1 NONAQUEOUS ELECTROLYTIC SOLUTION FOR ELECTRIC DOUBLE LAYER CAPACITORS OTSUKA CHEMICAL CO., LTD. (JP) 2017-11-16 US disclosed
EP-3232455-A1 NONAQUEOUS ELECTROLYTE SOLUTION FOR ELECTRIC DOUBLE LAYER CAPACITORS Otsuka Chemical Co., Ltd. (JP) 2017-10-18 EP disclosed