SCHEMBL7720916

SCHEMBL7720916

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
MITF O75030 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
RAB9A P51151 3/20 0.52
HTT P42858 2/20 0.52
ATM Q13315 2/20 0.52
GFER P55789 1/20 0.52
PAX8 Q06710 1/20 0.52
LMNA P02545 5/20 0.51
HIF1A Q16665 2/20 0.51
MAPT P10636 2/20 0.50
SLC6A4 P31645 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NTSR1 P30989 1/20 0.46
CHRM2 P08172 2/20 0.46
ADRA2B P18089 2/20 0.46
DRD3 P35462 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46

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
SCHEMBL7713720 0.87 SLC6A4 (0.53) ALDH1A1MITFSMN1; SMN2RAB9AHTT
SCHEMBL7503188 0.86 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2RAB9AGFERMAPT
SCHEMBL6862148 0.85 ALDH1A1 (0.58) ALDH1A1MITFSMN1; SMN2RAB9AHTT
SCHEMBL7718161 0.83 ALDH1A1 (0.60) ALDH1A1MITFSMN1; SMN2RAB9AHTT
Hydrochloric Acid SCHEMBL29380532 0.81 ALDH1A1 (0.61) ALDH1A1MITFSMN1; SMN2RAB9AHTT
SCHEMBL14068950 0.80 ALDH1A1 (0.60) ALDH1A1MITFSMN1; SMN2RAB9AHTT
SCHEMBL500097 0.80 ALDH1A1 (0.45) ALDH1A1MITFSMN1; SMN2LMNAHIF1A
SCHEMBL6864368 0.78 ALDH1A1 (0.62) ALDH1A1MITFSMN1; SMN2HTTLMNA
SCHEMBL16415774 0.77 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNAMAPTSLC6A4
SCHEMBL7718745 0.77 ALDH1A1 (0.60) ALDH1A1MITFSMN1; SMN2RAB9AHTT

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