SCHEMBL10657323

SCHEMBL10657323

CCc1ccc([N+](CC)(CC)CC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
CYP2A6 P11509 2/20 0.41
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
IDO1 P14902 2/20 0.40
ALDH1A1 P00352 1/20 0.39
CA2 P00918 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLAU P00749 1/20 0.37
LMNA P02545 1/20 0.37
ACHE P22303 1/20 0.36
TRPA1 O75762 1/20 0.36
MGLL Q99685 2/20 0.35
PLK1 P53350 1/20 0.35

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
SCHEMBL2486360 0.86 ACHE (0.31) TSHRSMN1; SMN2ACHE
SCHEMBL26956528 0.80 LPL (0.45) LPLLIPGALDH1A1CA2L3MBTL1
Hydrogen Sulfide SCHEMBL27925242 0.80 TP53 (0.62) TP53TAAR1CYP2A6LPLLIPG
Hydrogen Sulfide SCHEMBL29290777 0.80 TP53 (0.62) TP53TAAR1CYP2A6LPLLIPG
Bromide SCHEMBL8611885 0.78 TSHR (0.39) CA2TSHRSMN1; SMN2ACHE
SCHEMBL11734473 0.78 CHRNB2 (0.35) SMN1; SMN2LMNA
SCHEMBL18473890 0.77 ACHE (0.42) TP53TAAR1CYP2A6LPLLIPG
SCHEMBL36295 0.76 TP53 (0.67) TP53TAAR1CYP2A6LPLLIPG
SCHEMBL9712020 0.76 ACHE (0.44) TAAR1CYP2A6IDO1ALDH1A1CA2
Bromide SCHEMBL11575686 0.76 ALDH1A1 (0.46) TP53TAAR1CYP2A6LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0141371-B1 SECONDARY BATTERY SHOWA DENKO KABUSHIKI KAISHA (JP) 1988-08-10 EP claimed
EP-0141371-B1 SECONDARY BATTERY SHOWA DENKO KABUSHIKI KAISHA (JP) 1988-08-10 EP disclosed
US-4537843-A ELECTRODES OF POLYMER WITH CONJUGATED DOUBLE BONDS IN MAIN CHAIN, SHOWA DENKO KABUSHIKI KAISHA (JP) 1985-08-27 US disclosed
EP-0141371-A1 Secondary Battery SHOWA DENKO KABUSHIKI KAISHA (JP) 1985-05-15 EP disclosed