SCHEMBL7998833

SCHEMBL7998833

CCCCCCCCn1c(=O)cc(OCCCC)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
KCNA3 P22001 1/20 0.55
PSEN1 P49768 10/20 0.55
PSEN2 P49810 10/20 0.55
APH1B Q8WW43 10/20 0.55
NCSTN Q92542 10/20 0.55
APH1A Q96BI3 10/20 0.55
PSENEN Q9NZ42 10/20 0.55
MAPT P10636 2/20 0.53
PKM P14618 1/20 0.53
HTR3E A5X5Y0 2/20 0.50
HTR3B O95264 2/20 0.50
HTR3A P46098 2/20 0.50
HTR3D Q70Z44 2/20 0.50
HTR3C Q8WXA8 2/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
KDM4E B2RXH2 2/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL11387687 0.97 KCNA3 (0.59) ALDH1A1KCNA3PSEN1PSEN2APH1B
SCHEMBL11377528 0.95 ALDH1A1 (0.61) ALDH1A1KCNA3PSEN1PSEN2APH1B
SCHEMBL11379340 0.95 ALDH1A1 (0.64) ALDH1A1KCNA3PSEN1PSEN2APH1B
SCHEMBL11389778 0.93 ALDH1A1 (0.63) ALDH1A1KCNA3PSEN1PSEN2APH1B
SCHEMBL11389203 0.88 ALDH1A1 (0.64) ALDH1A1KCNA3MAPTPKMLMNA
SCHEMBL25493370 0.84 KCNA3 (0.78) ALDH1A1KCNA3MAPTLMNAHPGD
SCHEMBL11385072 0.84 KCNA3 (0.78) ALDH1A1KCNA3MAPTLMNAHPGD
SCHEMBL11377058 0.84 KCNA3 (0.78) ALDH1A1KCNA3MAPTLMNAHPGD
SCHEMBL11394549 0.84 KCNA3 (0.78) ALDH1A1KCNA3MAPTLMNAHPGD
SCHEMBL8081190 0.84 ALDH1A1 (0.54) ALDH1A1PSEN1PSEN2APH1BNCSTN

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-6114352-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-09-05 US disclosed