SCHEMBL7033556

SCHEMBL7033556

CC1CCC2CN1Cc1sc(NC3CCCCO3)c(C(=O)O)c12

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCC1 P33527 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
CXCR2 P25025 1/20 0.32
RAB7A P51149 1/20 0.32
PTPN1 P18031 1/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
KMT2A Q03164 2/20 0.31
NOD1 Q9Y239 1/20 0.31
POLB P06746 1/20 0.30
CASP6 P55212 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
SCHEMBL7029267 0.83 KMT2A (0.33) RAB7APTPN1KMT2ANOD1POLB
SCHEMBL6432093 0.80 PTPN2 (0.34) PTPN1POLB
SCHEMBL6414118 0.78 PTPN1 (0.48) ABCC1ABCG2CXCR2PTPN1
SCHEMBL6432360 0.76 KMT2A (0.32) RAB7APTPN1KMT2ANOD1POLB
SCHEMBL7855098 0.74 PTPN2 (0.58) PTPN1KMT2ANOD1POLBCASP6
SCHEMBL7693899 0.73 PTPN1 (0.53) ABCC1PTPN1KMT2ANOD1POLB
SCHEMBL7855558 0.72 KMT2A (0.53) PTPN1KMT2ANOD1POLBCASP6
SCHEMBL7849798 0.72 KMT2A (0.38) KMT2ANOD1POLB
SCHEMBL7854135 0.71 PTPN1 (0.58) RAB7APTPN1FABP4FABP5KMT2A
SCHEMBL7033018 0.71

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
EP-1404682-A1 METHOD OF INHIBITING PTP 1B AND/OR T-CELL PTP AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 Novo Nordisk A/S (DK) 2004-04-07 EP claimed
WO-2003002569-A1 METHOD OF INHIBITING PTP 1B AND/OR T-CELL PTP AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48 NOVO NORDISK A/S (DK) 2003-01-09 WO claimed