SCHEMBL7717232

SCHEMBL7717232

O=C(O)CC(CN1CCCCC1)C(=O)c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
ABCB1 P08183 2/20 0.45
GCGR P47871 2/20 0.45
SLC6A9 P48067 2/20 0.45
PLK1 P53350 3/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
BCHE P06276 2/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
KDM2B Q8NHM5 1/20 0.43
MITF O75030 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
GFER P55789 1/20 0.42
PAX8 Q06710 1/20 0.42

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
SCHEMBL7718149 0.99 LMNA (0.46) LMNAPOLBABCB1GCGRSLC6A9
SCHEMBL10708108 0.86 LMNA (0.49) LMNAPOLBABCB1GCGRSLC6A9
SCHEMBL6862148 0.81 ALDH1A1 (0.58) LMNAABCB1ALDH1A1SMN1; SMN2MAPT
SCHEMBL10707183 0.80 HRH3 (0.55) LMNAPOLBABCB1GCGRSLC6A9
SCHEMBL7718668 0.80 OPRK1 (0.45) ABCB1ALDH1A1SMN1; SMN2KDM4EMITF
SCHEMBL7718161 0.79 ALDH1A1 (0.60) LMNAPOLBABCB1ALDH1A1SMN1; SMN2
SCHEMBL10706138 0.79 HRH3 (0.52) LMNAPOLBABCB1GCGRSLC6A9
SCHEMBL7718155 0.79 ALDH1A1 (0.54) LMNAABCB1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7719244 0.77 ALDH1A1 (0.52) LMNAABCB1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7719730 0.74 GSK3B (0.43) LMNAABCB1ALDH1A1SMN1; SMN2MAPT

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