SCHEMBL11252129

SCHEMBL11252129

CCCCCCCCCCCCNCCCN1CCC/N=C(/C)CC1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
DRD4 P21917 1/20 0.33
TSHR P16473 1/20 0.33
PGK1 P00558 1/20 0.32
DPP4 P27487 1/20 0.32

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
SCHEMBL11260602 1.00 ALDH1A1 (0.40) ALDH1A1GAAMAPTTHRBKMT2A
SCHEMBL11257124 0.90 ALDH1A1 (0.49) ALDH1A1GAAMAPTTHRBRAB9A
SCHEMBL11257126 0.90 ALDH1A1 (0.49) ALDH1A1GAAMAPTTHRBRAB9A
SCHEMBL11264796 0.87 ALDH1A1 (0.41) ALDH1A1GAAMAPTTHRBTSHR
SCHEMBL11130692 0.87 ALDH1A1 (0.41) ALDH1A1GAAMAPTTHRBTSHR
SCHEMBL11128278 0.87 ALDH1A1 (0.41) ALDH1A1GAAMAPTTHRBTSHR
SCHEMBL11271410 0.86 ALDH1A1 (0.40) ALDH1A1GAAMAPTTHRBTSHR
SCHEMBL11268114 0.82 MGLL (0.43) ALDH1A1GAAMAPTTHRB
SCHEMBL11268119 0.82 MGLL (0.43) ALDH1A1GAAMAPTTHRB
SCHEMBL11268117 0.82 MGLL (0.43) ALDH1A1GAAMAPTTHRB

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