SCHEMBL8041948

SCHEMBL8041948

CCCCCCCCCCCCOC(=O)CCc1ncc[nH]1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TBXAS1 P24557 2/20 0.50
DGKA P23743 1/20 0.49
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
NAAA Q02083 1/20 0.45
HTR2C P28335 1/20 0.44
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.43
DNM1 Q05193 1/20 0.42
XDH P47989 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL3591993 0.83 MAPT (0.52) ALDH1A1TBXAS1KDM4ELMNA
SCHEMBL11113395 0.77 TBXAS1 (0.54) TBXAS1KMT2A
SCHEMBL449373 0.76 TBXAS1 (0.59) ALDH1A1TBXAS1
SCHEMBL11277597 0.76 TBXAS1 (0.59) ALDH1A1TBXAS1
SCHEMBL49709 0.76 TBXAS1 (0.59) ALDH1A1TBXAS1
SCHEMBL534913 0.76 TBXAS1 (0.59) ALDH1A1TBXAS1
SCHEMBL534951 0.76 TBXAS1 (0.59) ALDH1A1TBXAS1
SCHEMBL534846 0.76 TBXAS1 (0.59) ALDH1A1TBXAS1
SCHEMBL535710 0.76 TBXAS1 (0.59) ALDH1A1TBXAS1
SCHEMBL9738958 0.74 LMNA (0.50) ALDH1A1KDM4EXDHLMNA

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
EP-1017801-A2 COMPOSITION AND METHOD FOR ENHANCING PARACELLULAR TRANSPORT ACROSS CELL LAYERS ELAN CORPORATION, Plc (IE) 2000-07-12 EP disclosed
WO-1999015649-A2 COMPOSITION AND METHOD FOR ENHANCING PARACELLULAR TRANSPORT ACROSS CELL LAYERS ELAN CORPORATION, PLC (IE) 1999-04-01 WO disclosed