SCHEMBL11220522

SCHEMBL11220522

C/C1=C/CCCC(C)CC/C=C(/C)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.34
TAS2R46 P59540 2/20 0.33
MEN1 O00255 1/20 0.33
CNR2 P34972 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARA Q07869 1/20 0.33
LMNA P02545 2/20 0.31

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
SCHEMBL11220521 1.00 PTPN1 (0.34) PTPN1TAS2R46MEN1CNR2KMT2A
SCHEMBL11220524 1.00 PTPN1 (0.34) PTPN1TAS2R46MEN1CNR2KMT2A
SCHEMBL722865 0.89 TAS2R46 (0.33) PTPN1TAS2R46MEN1CNR2KMT2A
SCHEMBL6592251 0.89 MEN1 (0.37) PTPN1TAS2R46MEN1CNR2KMT2A
SCHEMBL722866 0.89 TAS2R46 (0.33) PTPN1TAS2R46MEN1CNR2KMT2A
SCHEMBL11309060 0.89 MEN1 (0.37) PTPN1TAS2R46MEN1CNR2KMT2A
SCHEMBL28745255 0.85 TAS2R46 (0.38) PTPN1TAS2R46MEN1CNR2KMT2A
SCHEMBL6592171 0.84
SCHEMBL23201546 0.81 KMT2A (0.39) TAS2R46MEN1CNR2KMT2APPARA
SCHEMBL6591689 0.77

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
JP-57059826-A None JP disclosed
JP-S5759826-A PREPARATION OF AROMATIC OILY SUBSTANCE COMPOSED MAINLY OF TRIMETHYLCYCLODODECADIENE CARBALDEHYDE MITSUBISHI PETROCHEM CO LTD 1982-04-10 JP disclosed