SCHEMBL11252124

SCHEMBL11252124

CCCCCCCCCCCCNC(CC)N1CCC/N=C(/C)CC1=O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL11260598 1.00 ALDH1A1 (0.35) ALDH1A1GAAMAPTTHRB
SCHEMBL11269511 0.88 ALDH1A1 (0.31) ALDH1A1GAAMAPTTHRB
SCHEMBL11128276 0.79 GAA (0.38) ALDH1A1GAAMAPTTHRB
SCHEMBL11264789 0.79 GAA (0.38) ALDH1A1GAAMAPTTHRB
SCHEMBL11130691 0.79 GAA (0.38) ALDH1A1GAAMAPTTHRB
SCHEMBL11271400 0.75 GAA (0.35) ALDH1A1GAAMAPTTHRB
SCHEMBL11268205 0.74 LMNA (0.43) ALDH1A1GAAMAPTTHRB
SCHEMBL11252129 0.73 ALDH1A1 (0.40) ALDH1A1GAAMAPTTHRB
SCHEMBL11260602 0.73 ALDH1A1 (0.40) ALDH1A1GAAMAPTTHRB
SCHEMBL11257126 0.71 ALDH1A1 (0.49) 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