SCHEMBL7239673

SCHEMBL7239673

NC(CCCCCCOC1=CC(=O)C(=O)c2ccccc21)CCCCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.56
CDC25B P30305 3/20 0.47
PTPRC P08575 2/20 0.47
ALDH1A1 P00352 1/20 0.43
CDC25A P30304 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
LTB4R Q15722 5/20 0.39
PPARA Q07869 2/20 0.39
ENPEP Q07075 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38

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
SCHEMBL4303531 0.90 PTPN1 (0.68) PTPN1CDC25BPTPRCCDC25ACES2
SCHEMBL24597737 0.81 PTPN1 (0.51) PTPN1CDC25BALDH1A1CDC25ALTB4R
SCHEMBL7239675 0.79 PTPN1 (0.56) PTPN1CDC25BPTPRCCES2CES1
SCHEMBL4298282 0.78 PTPN1 (0.67) PTPN1CDC25BPTPRCALDH1A1CES2
SCHEMBL7484901 0.78 CDC25B (0.41) PTPN1CDC25BPTPRCALDH1A1CDC25A
SCHEMBL5596353 0.77 PTPN1 (0.68) PTPN1CDC25BPTPRCALDH1A1CDC25A
SCHEMBL5595788 0.76 PTPN1 (0.68) PTPN1CDC25BPTPRCALDH1A1CDC25A
SCHEMBL4291302 0.76 PTPN1 (0.88) PTPN1CDC25BPTPRCALDH1A1CES2
SCHEMBL4289068 0.76 PTPN1 (0.68) PTPN1CDC25BPTPRCCES2CES1
SCHEMBL4289513 0.76 PTPN1 (0.56) PTPN1CDC25BPTPRCCES2CES1

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
US-6649587-B1 Cytostatic or cytocidal componenet conjugated to a polypeptide recognized and cleaved by enzymes such as prostate specific antigen (PSA) and cathepsin B SLIL BIOMEDICAL CORPORATION 2003-11-18 US disclosed