SCHEMBL14130437

SCHEMBL14130437

C=CC[N+](C)(C)Cc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
HPGD P15428 4/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ELANE P08246 3/20 0.42
SRD5A2 P31213 1/20 0.42
ATM Q13315 1/20 0.41
ACHE P22303 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 2/20 0.40
LSS P48449 2/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
BCHE P06276 1/20 0.39

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
Bromide SCHEMBL29044663 0.98 ALDH1A1 (0.50) ALDH1A1HPGDLMNAHTTL3MBTL1
Hydrochloric Acid SCHEMBL27524153 0.98 ALDH1A1 (0.47) ALDH1A1HPGDLMNAHTTL3MBTL1
Bicarbonate SCHEMBL28038338 0.85 ALDH1A1 (0.46) ALDH1A1LMNAHTTL3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL28053725 0.85 ALDH1A1 (0.39) ALDH1A1HPGDLMNAHTTL3MBTL1
Acetic Acid SCHEMBL5720121 0.83 ALDH1A1 (0.44) ALDH1A1HTTL3MBTL1SMN1; SMN2ACHE
Bicarbonate SCHEMBL8962371 0.83 ALDH1A1 (0.44) ALDH1A1HTTL3MBTL1SMN1; SMN2ACHE
Bicarbonate SCHEMBL28038336 0.83 ALDH1A1 (0.44) ALDH1A1HTTL3MBTL1SMN1; SMN2ACHE
SCHEMBL485968 0.82 ALDH1A1 (0.50) ALDH1A1HPGDHTTL3MBTL1SMN1; SMN2
SCHEMBL130071 0.82 ALDH1A1 (0.50) ALDH1A1HTTL3MBTL1SMN1; SMN2ACHE
Bromide SCHEMBL231675 0.81 ALDH1A1 (0.48) ALDH1A1HPGDHTTL3MBTL1SMN1; SMN2

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-7396885-B2 Photo-setting and thermosetting resin composition, process for preparing plugged-through-hole printed wiring board and plugged-through-hole printed wiring board SAN-EI KAGAKU CO., LTD. (JP) 2008-07-08 US disclosed