SCHEMBL1662214

SCHEMBL1662214

O=C(O)c1cc(NCCCCCC2CCSS2)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
KMT2A Q03164 2/20 0.44
TARDBP Q13148 2/20 0.44
CYP2C9 P11712 1/20 0.44
MEN1 O00255 1/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
TSHR P16473 1/20 0.44
APEX1 P27695 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL6125736 1.00 ACHE (0.44) ACHEHSD17B10ALDH1A1TDP1KMT2A
SCHEMBL1662213 1.00 ACHE (0.44) ACHEHSD17B10ALDH1A1TDP1KMT2A
SCHEMBL1662432 0.95 ACHE (0.40) ACHEHSD17B10ALDH1A1TDP1KMT2A
SCHEMBL1662438 0.91 PTPRF (0.38) ACHEHSD17B10ALDH1A1TDP1KMT2A
SCHEMBL1664516 0.88 EGFR (0.45) ACHEHSD17B10ALDH1A1TDP1KMT2A
SCHEMBL1664515 0.88 EGFR (0.45) ACHEHSD17B10ALDH1A1TDP1KMT2A
SCHEMBL1659912 0.83 PTPRF (0.60) ACHEHSD17B10ALDH1A1TDP1KMT2A
SCHEMBL1659911 0.83 PTPRF (0.60) ACHEHSD17B10ALDH1A1TDP1KMT2A
SCHEMBL15240243 0.83 PTPRF (0.60) ACHEHSD17B10ALDH1A1TDP1KMT2A
SCHEMBL1662257 0.80 PTPRF (0.42) ACHEHSD17B10ALDH1A1TDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2640423-A1 LIPOYL COMPOUNDS AND THEIR USE FOR TREATING ISCHEMIC INJURY Ischemix LLC (US) 2013-09-25 EP claimed
WO-2012067947-A1 LIPOYL COMPOUNDS AND THEIR USE FOR TREATING ISCHEMIC INJURY ISCHEMIX LLC (US) 2012-05-24 WO claimed
WO-2011044138-A1 LIPOIC ACID ACYLATED SALICYLATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-04-14 WO claimed
EP-2640423-A1 LIPOYL COMPOUNDS AND THEIR USE FOR TREATING ISCHEMIC INJURY Ischemix LLC (US) 2013-09-25 EP disclosed
WO-2012067947-A1 LIPOYL COMPOUNDS AND THEIR USE FOR TREATING ISCHEMIC INJURY ISCHEMIX LLC (US) 2012-05-24 WO disclosed
WO-2011044138-A1 LIPOIC ACID ACYLATED SALICYLATE DERIVATIVES AND THEIR USES CATABASIS PHARMACEUTICALS, INC. (US) 2011-04-14 WO disclosed