SCHEMBL7718155

SCHEMBL7718155

O=C(O)CC(CN1CCCCC1)C(=O)c1ccc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
SLC6A4 P31645 3/20 0.50
SLC6A3 Q01959 2/20 0.50
SLC6A2 P23975 1/20 0.50
NTSR1 P30989 1/20 0.44
MITF O75030 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 3/20 0.44
RAB9A P51151 3/20 0.44
ATM Q13315 2/20 0.44
GFER P55789 1/20 0.44
PAX8 Q06710 1/20 0.44
ABCB1 P08183 2/20 0.44
LMNA P02545 2/20 0.44
HIF1A Q16665 2/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL7719244 0.99 ALDH1A1 (0.52) ALDH1A1KDM4EGAASLC6A4SLC6A3
SCHEMBL6862148 0.85 ALDH1A1 (0.58) ALDH1A1SLC6A4NTSR1MITFSMN1; SMN2
SCHEMBL7718161 0.84 ALDH1A1 (0.60) ALDH1A1SLC6A4SLC6A3SLC6A2NTSR1
SCHEMBL12123573 0.81 ALDH1A1 (0.65) ALDH1A1KDM4EGAASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL31052904 0.80 ALDH1A1 (0.65) ALDH1A1KDM4EGAASLC6A4SLC6A3
SCHEMBL6862360 0.79 SLC6A4 (0.69) ALDH1A1SLC6A4SLC6A3SLC6A2NTSR1
SCHEMBL6864368 0.79 ALDH1A1 (0.62) ALDH1A1KDM4ESLC6A4SLC6A3SLC6A2
SCHEMBL7717232 0.79 LMNA (0.48) ALDH1A1KDM4EMITFSMN1; SMN2HTT
SCHEMBL7718661 0.77 LMNA (0.53) ALDH1A1KDM4EGAASLC6A4SLC6A3
SCHEMBL7718149 0.77 LMNA (0.46) ALDH1A1KDM4EMITFSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6384063-B1 Compound having effect of promoting neuron differentiation NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2002-05-07 US disclosed
EP-0999204-A1 NOVEL COMPOUND HAVING EFFECT OF PROMOTING NEURON DIFFERENTIATION Nippon Kayaku Kabushiki Kaisha (JP) 2000-05-10 EP disclosed