SCHEMBL12475808

SCHEMBL12475808

CC1=CC=CCCC(C)=CCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.50
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CNR2 P34972 1/20 0.34
PPARA Q07869 1/20 0.34
TAS2R46 P59540 4/20 0.31
GLI1 P08151 1/20 0.31
CYP3A4 P08684 1/20 0.31
GLI2 P10070 1/20 0.31
RECQL P46063 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
TERT O14746 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL30105449 1.00 PTPN1 (0.50) PTPN1MEN1KMT2ACNR2PPARA
SCHEMBL368085 0.90
SCHEMBL1400960 0.90
SCHEMBL11598511 0.87
SCHEMBL9230786 0.87
SCHEMBL8591359 0.87 PTPN1 (0.40) PTPN1
SCHEMBL8591364 0.87 PTPN1 (0.40) PTPN1
SCHEMBL8591356 0.87 PTPN1 (0.40) PTPN1
SCHEMBL29254106 0.85
SCHEMBL1054541 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012109325-A2 PROTECTIVE NEMATODE ATTRACTANTS AND METHODS FOR USING THE SAME UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-08-16 WO disclosed