SCHEMBL8918243

SCHEMBL8918243

CCCCCCCCCCC([C]=O)C(=O)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 3/20 0.46
BCHE P06276 3/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX1 P07099 8/20 0.38
EPHX2 P34913 2/20 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
SCHEMBL13262041 0.80 NAAA (0.51) NAAABCHEALDH1A1KMT2AEPHX1
SCHEMBL17688564 0.78 NAAA (0.49) NAAABCHEMAPTALDH1A1KMT2A
SCHEMBL14534758 0.78 NAAA (0.49) NAAABCHEALDH1A1KMT2AEPHX1
SCHEMBL28843002 0.78 NAAA (0.49) NAAABCHEMAPTALDH1A1KMT2A
SCHEMBL14549140 0.73 NAAA (0.44) NAAABCHEALDH1A1KMT2AEPHX1
SCHEMBL10923278 0.72 MAPT (0.59) MAPT
SCHEMBL527476 0.72 MAPT (0.59) MAPT
SCHEMBL5158482 0.72 MAPT (0.48) MAPT
SCHEMBL4002470 0.72 MAPT (0.59) MAPT
SCHEMBL970515 0.72 MAPT (0.59) MAPT

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
US-5593887-A Oligosaccharide enzyme substrates and inhibitors: methods and compositions THE SCRIPPS RESEARCH INSTITUTE (US) 1997-01-14 US disclosed