SCHEMBL6154861

SCHEMBL6154861

CCCCCCCCCC(CCCCC)OC(=O)Cc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.45
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CTSK P43235 1/20 0.42
ALDH1A1 P00352 2/20 0.40
LPAR3 Q9UBY5 1/20 0.40
CYP1A2 P05177 2/20 0.40
ALOX12 P18054 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
PPARG P37231 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
PTPRA P18433 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL6154340 0.81 CTSK (0.54) HPGDHSD17B10CTSKALDH1A1CYP1A2
SCHEMBL6155335 0.79 TLR2 (0.52) TLR2HPGDHSD17B10CTSKCYP1A2
SCHEMBL28770588 0.77 KDM4E (0.47) CTSKALDH1A1ALOX12RAB9ANPC1
SCHEMBL355182 0.77 TSHR (0.57) ALDH1A1CYP1A2TSHRRAB9ANPC1
SCHEMBL10640793 0.77 TSHR (0.54) CTSKALDH1A1TSHR
SCHEMBL27448988 0.77 TSHR (0.54) CTSKALDH1A1TSHR
SCHEMBL10700882 0.77 TSHR (0.54) CTSKALDH1A1TSHR
SCHEMBL356002 0.76 HSD17B10 (0.56) HPGDHSD17B10ALDH1A1CYP1A2TSHR
SCHEMBL3783374 0.76 POLB (0.47) ALDH1A1CYP1A2TSHRRAB9ANPC1
SCHEMBL19569830 0.75 TSHR (0.55) CTSKALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499326-A1 OXOLIDE ANTIBACTERIALS Abbott Laboratories (US) 2005-01-26 EP claimed
WO-2003090760-A1 OXOLIDE ANTIBACTERIALS ABBOTT LABORATORIES (US) 2003-11-06 WO claimed
EP-1499326-A1 OXOLIDE ANTIBACTERIALS Abbott Laboratories (US) 2005-01-26 EP disclosed
WO-2003090760-A1 OXOLIDE ANTIBACTERIALS ABBOTT LABORATORIES (US) 2003-11-06 WO disclosed