SCHEMBL5837433

SCHEMBL5837433

COCOc1c(C)ccc(C(=O)OC)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
ABL1 P00519 2/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
NTRK1 P04629 1/20 0.36
FYN P06241 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
IGF1R P08069 1/20 0.36
MET P08581 1/20 0.36
PDGFRB P09619 1/20 0.36
PIM1 P11309 1/20 0.36
FGFR1 P11362 1/20 0.36
PRKACA P17612 1/20 0.36
LTK P29376 1/20 0.36
GRK5 P34947 1/20 0.36
KDR P35968 1/20 0.36
MAP2K2 P36507 1/20 0.36

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
SCHEMBL6096081 0.77 CA12 (0.44) ABL1CA12CA1CA2CA7
SCHEMBL23354548 0.75 NCEH1 (0.49) ABL1CA12CA1CA2CA7
SCHEMBL8380028 0.74 CA1 (0.52) ABL1CA12CA1CA2CA7
SCHEMBL19602445 0.74 TDP1 (0.43) CA12CA1CA2CA7PDK2
SCHEMBL14899668 0.74 TSHR (0.48) PTPN1ABL1CHEK1AURKADAPK3
SCHEMBL30940291 0.73 XDH (0.41) PTPN1ABL1CHEK1AURKADAPK3
SCHEMBL9375273 0.72 KDM4E (0.46) ABL1CA12CA1CA2CA7
SCHEMBL19602568 0.72 KDM4E (0.41) PTPN1ABL1CA12CA1CA2
SCHEMBL9923803 0.72 NPC1 (0.45) ABL1CHEK1AURKADAPK3JAK2
SCHEMBL18674536 0.72 PTPN1 (0.50) PTPN1ALDH1A1L3MBTL1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115624-B1 Method of inhibiting protein tyrosine phosphatase 1B and/or T-cell protein tyrosine phosphatase 4 and/or other PTPases with an Asp residue at position 48 NOVO NORDISK A/S (DK) 2006-10-03 US disclosed
EP-1214324-B1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK AS (DK) 2006-06-14 EP disclosed
US-6410556-B1 ANTIDIABETIC AGENTS NOVO NORDISK A/S (DK) 2002-06-25 US disclosed
EP-1214324-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2002-06-19 EP disclosed
WO-2001019830-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2001-03-22 WO disclosed