SCHEMBL11264789

SCHEMBL11264789

CCCCCCCCCCCCCCCCCCCCCCNC(C)N1CCN=C(C)CC1=O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL11130691 1.00 GAA (0.38) GAAALDH1A1MAPTTHRBTDP1
SCHEMBL11128276 1.00 GAA (0.38) GAAALDH1A1MAPTTHRBTDP1
SCHEMBL11271400 0.90 GAA (0.35) GAAALDH1A1MAPTTHRBTDP1
SCHEMBL11262207 0.83 GPR84 (0.34) GAAALDH1A1MAPTTHRB
SCHEMBL11270382 0.83 GPR84 (0.34) GAAALDH1A1MAPTTHRB
SCHEMBL11252124 0.79 ALDH1A1 (0.35) GAAALDH1A1MAPTTHRB
SCHEMBL11260598 0.79 ALDH1A1 (0.35) GAAALDH1A1MAPTTHRB
SCHEMBL11269511 0.76 ALDH1A1 (0.31) GAAALDH1A1MAPTTHRB
SCHEMBL11264567 0.75 PKM (0.31) GAAALDH1A1
Hydrochloric Acid SCHEMBL11498725 0.75 GNAI3 (0.32)

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