SCHEMBL11345167

SCHEMBL11345167

CCCCCOC(=O)c1ccccc1OCCCN(CC)CC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 6/20 0.65
SCN2A Q99250 6/20 0.65
SCN3A Q9NY46 6/20 0.65
TSHR P16473 5/20 0.62
CYP3A4 P08684 3/20 0.62
MAPK1 P28482 2/20 0.62
TP53 P04637 1/20 0.62
ALDH1A1 P00352 6/20 0.61
LMNA P02545 3/20 0.61
TDP1 Q9NUW8 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
SLC6A3 Q01959 2/20 0.56
MEN1 O00255 1/20 0.56
NR1I2 O75469 1/20 0.56
CHRM2 P08172 1/20 0.56
ADRA2A P08913 1/20 0.56
MAPT P10636 1/20 0.56
OPRK1 P41145 1/20 0.56
HTR2B P41595 1/20 0.56
KMT2A Q03164 1/20 0.56

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
SCHEMBL11401080 0.96 SCN1A (0.67) SCN1ASCN2ASCN3ATSHRCYP3A4
SCHEMBL11340276 0.95 TSHR (0.62) SCN1ASCN2ASCN3ATSHRCYP3A4
SCHEMBL11339945 0.91 ALDH1A1 (0.62) SCN1ASCN2ASCN3ATSHRCYP3A4
SCHEMBL30173476 0.89 TSHR (0.78) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL3805742 0.89 TSHR (0.78) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL11341780 0.88 TSHR (0.64) SCN1ASCN2ASCN3ATSHRCYP3A4
SCHEMBL5515133 0.88 ALDH1A1 (0.79) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL9636466 0.88 ALDH1A1 (0.79) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL17961072 0.88 ALDH1A1 (0.79) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL7078029 0.88 ALDH1A1 (0.79) TSHRCYP3A4MAPK1TP53ALDH1A1

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
US-4298603-A LOCAL ANESTHETICS INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1981-11-03 US disclosed
EP-0031632-A1 O-Aminoalkylsalicylates, process for their preparation, and their pharmaceutical compositions INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1981-07-08 EP disclosed