SCHEMBL5347176

SCHEMBL5347176

[CH]1[CH]C(c2ccccc2)CCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
SLC18A3 Q16572 2/20 0.34
RECQL P46063 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
KDM1A O60341 2/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
TSHR P16473 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
MEN1 O00255 1/20 0.32

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
SCHEMBL779656 0.77 ALDH1A1 (0.38) ALDH1A1GAASLC18A3RECQLSIGMAR1
SCHEMBL21531502 0.74 CYP2C19 (0.39) ALDH1A1GAASLC18A3RECQLSIGMAR1
SCHEMBL1052889 0.74 CYP2C19 (0.39) ALDH1A1GAASLC18A3RECQLSIGMAR1
SCHEMBL18304604 0.74 CYP2C19 (0.39) ALDH1A1GAASLC18A3RECQLSIGMAR1
SCHEMBL779187 0.72 ALDH1A1 (0.40) ALDH1A1GAASLC18A3RECQLSIGMAR1
SCHEMBL2157992 0.71 ALDH1A1 (0.41) ALDH1A1GAASLC18A3RECQLSIGMAR1
SCHEMBL2160450 0.71 ALDH1A1 (0.41) ALDH1A1GAASLC18A3RECQLSIGMAR1
SCHEMBL777693 0.71 ALDH1A1 (0.41) ALDH1A1GAASLC18A3RECQLSIGMAR1
SCHEMBL11484818 0.70 SLC18A3 (0.40) ALDH1A1GAASLC18A3RECQLSIGMAR1
SCHEMBL1929909 0.69 SLC18A3 (0.41) ALDH1A1GAASLC18A3SIGMAR1KDM1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1538183-B1 THERMOPLASTIC FILM, THERMOPLASTIC RESIN COMPOSITION, AND PHYLLOSILICATE TEIJIN LTD (JP) 2007-10-31 EP disclosed
US-7189782-B2 Thermoplastic film, thermoplastic resin composition, and phyllosilicate TEIJIN LIMITED (JP) 2007-03-13 US disclosed
EP-1538183-A1 THERMOPLASTIC FILM, THERMOPLASTIC RESIN COMPOSITION, AND PHYLLOSILICATE TEIJIN LIMITED (JP) 2005-06-08 EP disclosed