SCHEMBL9723690

SCHEMBL9723690

CCCCCCCCCCCCCC(=O)OC(=O)C(O)CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 2/20 0.54
MAPT P10636 4/20 0.51
LMNA P02545 5/20 0.50
MAPK1 P28482 4/20 0.50
GMNN O75496 3/20 0.50
NPSR1 Q6W5P4 3/20 0.50
CYP1A2 P05177 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HSP90AA1 P07900 2/20 0.50
BLM P54132 2/20 0.50
NR1H4 Q96RI1 2/20 0.50
DGKA P23743 1/20 0.50
TP53 P04637 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
HIF1A Q16665 1/20 0.50
GLA P06280 1/20 0.49
PMP22 Q01453 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL9220943 1.00 PAM (0.54) PAMMAPTLMNAMAPK1GMNN
SCHEMBL9218812 1.00 PAM (0.54) PAMMAPTLMNAMAPK1GMNN
Phosphonic Acid SCHEMBL28227799 0.94 PAM (0.49) PAMMAPTLMNAMAPK1GMNN
Malic Acid SCHEMBL9222444 0.93 PAM (0.47) PAMMAPTLMNAMAPK1GMNN
Glycerin SCHEMBL713823 0.93 MEN1 (0.57) PAMMAPTLMNAMAPK1GMNN
SCHEMBL11053931 0.91 DGKA (0.56) MAPTLMNAGMNNNPSR1CYP1A2
SCHEMBL27715062 0.91 DGKA (0.56) MAPTLMNAGMNNNPSR1CYP1A2
SCHEMBL3379305 0.88 MAPT (0.53) PAMMAPTLMNAMAPK1MEN1
SCHEMBL28358120 0.88 MAPT (0.53) PAMMAPTLMNAMAPK1MEN1
SCHEMBL9723687 0.88 MAPT (0.53) PAMMAPTLMNAMAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992001386-A1 REDUCED CALORIE CONFECTIONERY COMPOSITIONS NABISCO, INC. (US) 1992-02-06 WO disclosed
WO-1991010372-A1 LOW CALORIE NUTS WITH THE ORGANOLEPTIC CHARACTER OR FULL FAT NUTS NABISCO, INC. (US) 1991-07-25 WO disclosed