SCHEMBL7713720

SCHEMBL7713720

CCOC(=O)CC(CN1CCCCC1)C(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.53
ALDH1A1 P00352 4/20 0.50
RAB9A P51151 3/20 0.50
MITF O75030 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 2/20 0.50
ATM Q13315 2/20 0.50
GFER P55789 1/20 0.50
PAX8 Q06710 1/20 0.50
LMNA P02545 4/20 0.48
HIF1A Q16665 2/20 0.48
MAPT P10636 2/20 0.48
CHRM2 P08172 2/20 0.47
ADRA2B P18089 2/20 0.47
DRD3 P35462 2/20 0.47
SIGMAR1 Q99720 2/20 0.47
HRH3 Q9Y5N1 2/20 0.47
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL7720916 0.87 ALDH1A1 (0.52) SLC6A4ALDH1A1RAB9AMITFSMN1; SMN2
SCHEMBL6862148 0.83 ALDH1A1 (0.58) SLC6A4ALDH1A1RAB9AMITFSMN1; SMN2
Hydrochloric Acid SCHEMBL29380532 0.81 ALDH1A1 (0.61) SLC6A4ALDH1A1RAB9AMITFSMN1; SMN2
SCHEMBL7718161 0.81 ALDH1A1 (0.60) SLC6A4ALDH1A1RAB9AMITFSMN1; SMN2
SCHEMBL14068950 0.81 ALDH1A1 (0.60) SLC6A4ALDH1A1RAB9AMITFSMN1; SMN2
SCHEMBL6862360 0.76 SLC6A4 (0.69) SLC6A4ALDH1A1RAB9AMITFSMN1; SMN2
SCHEMBL1478245 0.75 EPHX2 (0.48) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL7718745 0.75 ALDH1A1 (0.60) SLC6A4ALDH1A1RAB9AMITFSMN1; SMN2
SCHEMBL8535927 0.74 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTLMNAMAPT
SCHEMBL7503188 0.74 ALDH1A1 (0.44) SLC6A4ALDH1A1RAB9ASMN1; SMN2GFER

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