SCHEMBL8740774

SCHEMBL8740774

O=C(CBr)c1ccccc1Br.O=C(CBr)c1ccccc1Br

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.57
GSK3B P49841 3/20 0.52
ALDH1A1 P00352 4/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HSD17B10 Q99714 1/20 0.51
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46
HPGDS O60760 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ELANE P08246 1/20 0.42

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
SCHEMBL166468 1.00 PTPN1 (0.57) PTPN1GSK3BALDH1A1HPGDSMN1; SMN2
SCHEMBL29758522 1.00 PTPN1 (0.57) PTPN1GSK3BALDH1A1HPGDSMN1; SMN2
SCHEMBL9409754 0.85 PTPN1 (0.65) PTPN1GSK3BALDH1A1HPGDSMN1; SMN2
SCHEMBL28053559 0.84 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL15979732 0.84 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL30089542 0.84 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL3703924 0.82 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL29322296 0.81 PTPN1 (0.52) PTPN1GSK3BALDH1A1HPGDSMN1; SMN2
SCHEMBL8744733 0.80 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL12430466 0.80 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0764017-A4 METHODS AND COMPOSITIONS FOR DISRUPTING THE EPITHELIAL BARRIER FUNCTION CELLEGY PHARMA INC (US) 1997-08-06 EP disclosed
EP-0764017-A1 METHODS AND COMPOSITIONS FOR DISRUPTING THE EPITHELIAL BARRIER FUNCTION CELLEGY PHARMACEUTICALS, INC. (US) 1997-03-26 EP disclosed
WO-1994021230-A1 METHOD AND COMPOSITIONS FOR DISRUPTING THE EPITHELIAL BARRIER FUNCTION CELLEGY PHARMACEUTICALS, INC. (US) 1994-09-29 WO disclosed