SCHEMBL1662438

SCHEMBL1662438

O=C(O)c1cc(NCCCOCCNCCCCCC2CCSS2)ccc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRF P10586 9/20 0.38
PTPN2 P17706 9/20 0.38
PTPN1 P18031 9/20 0.38
ACHE P22303 6/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP2C9 P11712 1/20 0.37
MEN1 O00255 1/20 0.37
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
TSHR P16473 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
KMT2A Q03164 1/20 0.37
SAE1 Q9UBE0 1/20 0.37

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
SCHEMBL1662432 0.92 ACHE (0.40) PTPRFPTPN2PTPN1ACHEHSD17B10
SCHEMBL1662213 0.91 ACHE (0.44) PTPRFPTPN2PTPN1ACHEHSD17B10
SCHEMBL6125736 0.91 ACHE (0.44) PTPRFPTPN2PTPN1ACHEHSD17B10
SCHEMBL1662214 0.91 ACHE (0.44) PTPRFPTPN2PTPN1ACHEHSD17B10
SCHEMBL1664516 0.82 EGFR (0.45) PTPRFPTPN2PTPN1ACHEHSD17B10
SCHEMBL1664515 0.82 EGFR (0.45) PTPRFPTPN2PTPN1ACHEHSD17B10
SCHEMBL1662257 0.78 PTPRF (0.42) PTPRFPTPN2PTPN1ACHEHSD17B10
SCHEMBL1659758 0.78 PTPRF (0.50) PTPRFPTPN2PTPN1ACHEBCHE
SCHEMBL1662010 0.77 NAAA (0.44) ACHEHSD17B10ALDH1A1MEN1POLB
SCHEMBL1662009 0.77 NAAA (0.44) ACHEHSD17B10ALDH1A1MEN1POLB

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
WO-2011044138-A1 LIPOIC ACID ACYLATED SALICYLATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-04-14 WO claimed
WO-2011044138-A1 LIPOIC ACID ACYLATED SALICYLATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-04-14 WO disclosed