SCHEMBL6599291

SCHEMBL6599291

O=C(CCS)OCCCCCOC(=O)CCS

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.46
DGKA P23743 1/20 0.46
HTR2C P28335 1/20 0.46
DNM1 Q05193 1/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
RAD52 P43351 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA1A P35348 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
FAAH O00519 1/20 0.38
MAPT P10636 1/20 0.38
BLM P54132 1/20 0.38
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
HTT P42858 1/20 0.35

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
SCHEMBL98936 1.00 NAAA (0.46) NAAADGKAHTR2CDNM1PRSS1
SCHEMBL6602344 1.00 NAAA (0.46) NAAADGKAHTR2CDNM1PRSS1
SCHEMBL98896 1.00 NAAA (0.46) NAAADGKAHTR2CDNM1PRSS1
SCHEMBL6603463 1.00 NAAA (0.46) NAAADGKAHTR2CDNM1PRSS1
SCHEMBL98181 1.00 NAAA (0.46) NAAADGKAHTR2CDNM1PRSS1
SCHEMBL97503 0.97 NAAA (0.43) NAAADGKAHTR2CDNM1PRSS1
SCHEMBL3520057 0.95 NAAA (0.43) NAAADGKAHTR2CDNM1PRSS1
SCHEMBL3516908 0.93 FOLH1 (0.42) NAAADGKAHTR2CDNM1PRSS1
SCHEMBL99058 0.92 DGKA (0.43) NAAADGKAHTR2CDNM1PRSS1
SCHEMBL20313796 0.91 NAAA (0.41) NAAADGKAHTR2CDNM1PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1046078-B1 LIQUID CRYSTAL DEVICE ALIGNMENT AND METHOD OF MAKING SUCH A DEVICE HEWLETT PACKARD CO (US) 2004-05-12 EP disclosed