SCHEMBL27634751

SCHEMBL27634751

CCC(=O)Oc1cccc(OCOC)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.44
HIF1A Q16665 3/20 0.38
ESR1 P03372 2/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACHE P22303 2/20 0.37
ALOX15 P16050 1/20 0.37
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
ABL1 P00519 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

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
SCHEMBL4635152 0.84 PTPN1 (0.45) PTPN1HIF1AESR1RECQLKMT2A
SCHEMBL27634761 0.82 PTPN1 (0.44) PTPN1HIF1AESR1RECQLKMT2A
SCHEMBL16507220 0.82 PTPN1 (0.42) PTPN1HIF1ASMN1; SMN2CHEK1AURKA
SCHEMBL27395153 0.79 KMT2A (0.43) HIF1AESR1RECQLKMT2ASMN1; SMN2
SCHEMBL4795365 0.78 ESR1 (0.42) PTPN1HIF1AESR1RECQLKMT2A
SCHEMBL9082172 0.73 PTPN1 (0.39) PTPN1HIF1ASMN1; SMN2ACHECHEK1
SCHEMBL6863654 0.72 PTPN1 (0.47) PTPN1CHEK1AURKADAPK3JAK2
SCHEMBL8435546 0.72 ALOX15 (0.55) HIF1AESR1RECQLKMT2ASMN1; SMN2
SCHEMBL27688209 0.72 KMT2A (0.48) PTPN1RECQLKMT2ASMN1; SMN2ALOX15
SCHEMBL31621484 0.72 ELANE (0.46) HIF1AESR1RECQLKMT2ASMN1; SMN2

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
CN-100567242-C Hsp90 family protein blockers KYOWA HAKKO KOGYO KK (JP) 2009-12-09 CN disclosed
CN-1791568-A Hsp90 family protein inhibitors KYOWA HAKKO KOGYO KK (JP) 2006-06-21 CN disclosed