SCHEMBL465863

SCHEMBL465863

CC1CCC(CC(C(=O)c2ccccc2)c2ccccc2)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MITF O75030 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
GFER P55789 1/20 0.44
PAX8 Q06710 1/20 0.44
ATM Q13315 1/20 0.44
LMNA P02545 4/20 0.43
HSD17B10 Q99714 1/20 0.43
PTPN1 P18031 5/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP19A1 P11511 1/20 0.39
HIF1A Q16665 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HSP90AA1 P07900 1/20 0.38
NTSR1 P30989 1/20 0.36

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
SCHEMBL465862 0.73 HSD11B1 (0.39) ALDH1A1RAB9ALMNAHSD17B10TDP1
SCHEMBL5377491 0.71 SMN1; SMN2 (0.50) ALDH1A1MITFSMN1; SMN2HTTRAB9A
SCHEMBL28217220 0.71 MITF (0.50) ALDH1A1MITFSMN1; SMN2HTTRAB9A
SCHEMBL50454 0.69 LMNA (0.80) ALDH1A1MITFSMN1; SMN2HTTRAB9A
SCHEMBL7580361 0.69 L3MBTL1 (0.59) ALDH1A1MITFSMN1; SMN2HTTRAB9A
SCHEMBL29086655 0.69 HPGD (0.53) ALDH1A1MITFSMN1; SMN2HTTRAB9A
SCHEMBL28241186 0.68 L3MBTL1 (0.53) ALDH1A1MITFSMN1; SMN2HTTRAB9A
Hydrochloric Acid SCHEMBL3647676 0.68 LMNA (0.77) ALDH1A1MITFSMN1; SMN2HTTRAB9A
SCHEMBL9903761 0.67 L3MBTL1 (0.57) ALDH1A1MITFSMN1; SMN2HTTRAB9A
SCHEMBL18281715 0.67 MITF (0.52) ALDH1A1MITFSMN1; SMN2HTTRAB9A

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
EP-2343972-A1 SYNERGISTIC RODENTICIDAL AGENT Bayer CropScience AG (DE) 2011-07-20 EP disclosed
WO-2010043322-A1 SYNERGISTIC RODENTICIDAL AGENT BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-04-22 WO disclosed