SCHEMBL9876179

SCHEMBL9876179

CCCCCCCCCCCCCCCCCC(=O)OCOC(CC(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 2/20 0.56
DGKA P23743 1/20 0.51
MAPT P10636 4/20 0.49
LMNA P02545 6/20 0.48
MAPK1 P28482 4/20 0.48
GMNN O75496 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
CYP1A2 P05177 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HSP90AA1 P07900 2/20 0.48
BLM P54132 2/20 0.48
NR1H4 Q96RI1 2/20 0.48
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.48
CYP2C9 P11712 1/20 0.48
HIF1A Q16665 1/20 0.48
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
PMP22 Q01453 1/20 0.47

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
SCHEMBL9218803 0.85 LMNA (0.59) PAMMAPTLMNAMAPK1GMNN
SCHEMBL19846186 0.85 LMNA (0.59) PAMMAPTLMNAMAPK1GMNN
SCHEMBL9220941 0.85 LMNA (0.59) PAMMAPTLMNAMAPK1GMNN
SCHEMBL9125677 0.85 LMNA (0.59) PAMMAPTLMNAMAPK1GMNN
SCHEMBL10534429 0.85 LMNA (0.59) PAMMAPTLMNAMAPK1GMNN
SCHEMBL10369338 0.84 LMNA (0.57) PAMMAPTLMNAMAPK1GMNN
SCHEMBL9863149 0.84 PAM (0.59) PAMDGKAMAPTLMNAMAPK1
SCHEMBL10610891 0.84 LMNA (0.57) PAMMAPTLMNAMAPK1GMNN
SCHEMBL9222441 0.81 LMNA (0.51) PAMDGKAMAPTLMNAMAPK1
SCHEMBL18139501 0.78 GPR84 (0.47) MEN1KMT2ATSHRALDH1A1

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-5068119-A Dietetics with fat substitutes NABISCO BRANDS, INC. (US) 1991-11-26 US disclosed