SCHEMBL9318396

SCHEMBL9318396

CCCc1cccc(CCC)c1NC(=O)CN(CC(=O)O)CC(=O)O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.81
TSHR P16473 1/20 0.81
CYP2C19 P33261 1/20 0.81
HIF1A Q16665 1/20 0.81
TDP1 Q9NUW8 1/20 0.81
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
MC4R P32245 1/20 0.50
SCN4A P35499 1/20 0.50
MC3R P41968 1/20 0.50
HTR3A P46098 1/20 0.50
SCN5A Q14524 1/20 0.50
SCN9A Q15858 1/20 0.50
SCN3A Q9NY46 1/20 0.50
GAA P10253 2/20 0.49
BLM P54132 1/20 0.49
DRD3 P35462 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
Etifenin SCHEMBL487233 0.89 ALOX15 (1.00) ALOX15TSHRCYP2C19HIF1ATDP1
Etifenin SCHEMBL10643382 0.88 ALOX15 (0.97) ALOX15TSHRCYP2C19HIF1ATDP1
Etifenin SCHEMBL10643374 0.82 ALOX15 (0.84) ALOX15TSHRCYP2C19HIF1ATDP1
Lidofenin SCHEMBL214472 0.78 MAPT (0.73) ALOX15TSHRCYP2C19HIF1ATDP1
Lidofenin SCHEMBL29765217 0.77 MAPT (0.71) ALOX15TSHRCYP2C19HIF1ATDP1
Lidofenin SCHEMBL28279278 0.77 MAPT (0.71) ALOX15TSHRCYP2C19HIF1ATDP1
SCHEMBL9972480 0.77 ALOX15 (0.76) ALOX15TSHRCYP2C19HIF1ATDP1
SCHEMBL11130240 0.76 TSHR (0.77) ALOX15TSHRCYP2C19HIF1ATDP1
SCHEMBL486934 0.76 ALOX15 (0.58) ALOX15TSHRCYP2C19HIF1ATDP1
SCHEMBL11154960 0.76 ALOX15 (0.70) ALOX15TSHRCYP2C19HIF1ATDP1

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-5306482-A Benz(alk or eth)orium chloride MERCK FROSST CANADA, INC. (CA) 1994-04-26 US disclosed