SCHEMBL5944482

SCHEMBL5944482

CCC[N+](C)(C)c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
IDO1 P14902 1/20 0.32
HPGD P15428 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.30
CYP2A6 P11509 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL5944556 0.86 HPGD (0.37) ACHETDP1CYP1A2CYP2D6MAPK1
SCHEMBL5944418 0.83 ACHE (0.40) ACHETDP1CYP1A2IDO1HPGD
Water SCHEMBL11425749 0.83 HSP90AA1 (0.40) MAPK1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL11128357 0.83 DNM1 (0.41) MAPK1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL11131597 0.81 DNM1 (0.45) MAPK1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL11128476 0.81 DNM1 (0.45) MAPK1SMN1; SMN2HTT
Water SCHEMBL11436087 0.81 HSP90AA1 (0.43) MAPK1SMN1; SMN2HTT
Water SCHEMBL11432750 0.81 HSP90AA1 (0.43) MAPK1SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL11129801 0.81 DNM1 (0.45) MAPK1SMN1; SMN2HTT
Water SCHEMBL11428288 0.81 HSP90AA1 (0.43) MAPK1SMN1; SMN2HTT

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
US-20060186419-A1 Light-emitting device KABUSHIKI KAISHA TOSHIBA (JP) 2006-08-24 US disclosed