SCHEMBL4760709

SCHEMBL4760709

CC1=CCC(C(C)CCC=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.36
CYP3A4 P08684 2/20 0.34
ALOX15 P16050 2/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRNA7 P36544 1/20 0.34
STAT3 P40763 1/20 0.34
LMNA P02545 3/20 0.33
HPGD P15428 1/20 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
SCHEMBL21986506 0.84 LMNA (0.35) PTPN1CYP3A4ALOX15MEN1MAPK1
SCHEMBL229476 0.84 LMNA (0.35) PTPN1CYP3A4ALOX15MEN1MAPK1
SCHEMBL30891547 0.84 LMNA (0.35) PTPN1CYP3A4ALOX15MEN1MAPK1
SCHEMBL21542489 0.84 LMNA (0.35) PTPN1CYP3A4ALOX15MEN1MAPK1
SCHEMBL711809 0.84 LMNA (0.35) PTPN1CYP3A4ALOX15MEN1MAPK1
SCHEMBL31538249 0.84 LMNA (0.35) PTPN1CYP3A4ALOX15MEN1MAPK1
SCHEMBL3826222 0.82 CYP3A4 (0.50) PTPN1CYP3A4ALOX15MEN1MAPK1
SCHEMBL19231612 0.81 PTPN1 (0.41) PTPN1CYP3A4ALOX15MEN1MAPK1
SCHEMBL1697954 0.80 CYP3A4 (0.36) PTPN1CYP3A4ALOX15MEN1MAPK1
SCHEMBL27851040 0.79 LMNA (0.35) PTPN1CYP3A4ALOX15MEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59112933-A None JP disclosed
JP-55038337-A None JP disclosed
JP-55047638-A None JP disclosed
JP-2008179818-A MIXTURE CONTAINING 3-(4-METHYLCYCLOHEXA-3-ENYL)BUTYLALDEHYDE AND 2,6-DIMETHYL-7-OCTENE-2-OL SYMRISE GMBH & CO KG 2008-08-07 JP disclosed
JP-S59112933-A 4,8-DIMETHYLBICYCLO(3.3.1)NONAN-2-OL DERIVATIVE MITSUBISHI PETROCHEM CO LTD 1984-06-29 JP disclosed
JP-S5547638-A PREPARATION OF 3-(4-METHYL-3-CYCLOHEXENYL)BUTYLALDEHYDE MITSUBISHI PETROCHEM CO LTD 1980-04-04 JP disclosed
JP-S5538337-A NOVEL CYCLOHEXENYLBUTYRIC ACID AND ITS ESTER MITSUBISHI PETROCHEM CO LTD 1980-03-17 JP disclosed