SCHEMBL27675504

SCHEMBL27675504

CCCCCCCCCCCCCCCCNCOC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.56
LMNA P02545 3/20 0.54
TDP1 Q9NUW8 2/20 0.50
HTR1A P08908 1/20 0.50
CYP2D6 P10635 1/20 0.50
SCN1A P35498 1/20 0.50
SLC6A3 Q01959 1/20 0.50
SCN5A Q14524 1/20 0.50
SCN2A Q99250 1/20 0.50
SCN3A Q9NY46 1/20 0.50
EPHX1 P07099 3/20 0.47
ALDH1A1 P00352 3/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
S1PR2 O95136 1/20 0.46

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
SCHEMBL29049842 0.85 LMNA (0.63) NAAALMNATDP1HTR1ACYP2D6
SCHEMBL25209557 0.82 TDP1 (0.46) LMNATDP1HTR1ACYP2D6SCN1A
Ethyl Benzoate SCHEMBL27281972 0.80 LMNA (0.65) NAAALMNATDP1SLC6A3ALDH1A1
SCHEMBL27495766 0.80 LMNA (0.65) LMNATDP1HTR1ACYP2D6SCN1A
SCHEMBL31278154 0.80 LMNA (0.65) LMNATDP1HTR1ACYP2D6SCN1A
SCHEMBL535664 0.79 NAAA (0.61) NAAANPC1MAPTRAB9AHTT
SCHEMBL246510 0.79 TDP1 (0.79) LMNATDP1CYP2D6ALDH1A1NPC1
SCHEMBL1037965 0.79 TDP1 (0.79) LMNATDP1CYP2D6ALDH1A1NPC1
SCHEMBL10532726 0.79 TDP1 (0.79) LMNATDP1CYP2D6ALDH1A1NPC1
SCHEMBL20822083 0.79 TDP1 (0.79) LMNATDP1CYP2D6ALDH1A1NPC1

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
CN-110028419-A A kind of preparation method of Iopromide 台州学院 2019-07-19 CN disclosed
CN-1907960-A Anthranilic acid derivatives TEIJIN LTD (JP) 2007-02-07 CN disclosed