SCHEMBL11257124

SCHEMBL11257124

CCCCCCCCCCCCN1CCC/N=C(/C)CC1=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
GBA1 P04062 1/20 0.38
ALOX5 P09917 2/20 0.37
MGLL Q99685 3/20 0.36
FAAH O00519 2/20 0.36
PLA2G2A P14555 3/20 0.35
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL11257126 1.00 ALDH1A1 (0.49) ALDH1A1GAAMAPTTHRBGBA1
SCHEMBL11268117 0.92 MGLL (0.43) ALDH1A1GAAMAPTTHRBMGLL
SCHEMBL11268119 0.92 MGLL (0.43) ALDH1A1GAAMAPTTHRBMGLL
SCHEMBL11268114 0.92 MGLL (0.43) ALDH1A1GAAMAPTTHRBMGLL
SCHEMBL11264220 0.91 ALDH1A1 (0.51) ALDH1A1GAAMAPTTHRBGBA1
SCHEMBL11252637 0.91 ALDH1A1 (0.51) ALDH1A1GAAMAPTTHRBGBA1
SCHEMBL11252129 0.90 ALDH1A1 (0.40) ALDH1A1GAAMAPTTHRBTSHR
SCHEMBL11260602 0.90 ALDH1A1 (0.40) ALDH1A1GAAMAPTTHRBTSHR
SCHEMBL11258113 0.84 DGKA (0.43) ALDH1A1GAAMAPTTHRB
SCHEMBL11268208 0.83 DGKA (0.44) ALDH1A1GAAMAPTTHRBSMN1; SMN2

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-4346087-A CORROSION RESISTANCE TOHO CHEMICAL INDUSTRY CO., LTD. (JP) 1982-08-24 US disclosed