SCHEMBL9616183

SCHEMBL9616183

CCC(C)(O)C(C)(C)COC(=O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL8078041 0.77 ALDH1A1 (0.33) ALDH1A1POLBMAPT
SCHEMBL15933348 0.77 ALDH1A1 (0.37) ALDH1A1POLBMAPT
SCHEMBL10955234 0.76 ALDH1A1 (0.42) ALDH1A1POLBMAPT
SCHEMBL23844026 0.75 HTT (0.40) ALDH1A1POLBMAPT
SCHEMBL13346798 0.74 THRB (0.40) ALDH1A1POLBMAPT
SCHEMBL882160 0.73 ALDH1A1 (0.40) ALDH1A1POLBMAPT
SCHEMBL7934757 0.73 ALDH1A1 (0.40) ALDH1A1POLBMAPT
SCHEMBL22479770 0.71 ALDH1A1 (0.36) ALDH1A1POLBMAPT
SCHEMBL13346809 0.71 ALDH1A1 (0.41) ALDH1A1POLBMAPT
SCHEMBL19053660 0.71 LMNA (0.53) ALDH1A1POLBMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4191088-A None JP disclosed
WO-2019162665-A1 COALESCENTS CHEMOXY INTERNATIONAL LTD (GB) 2019-08-29 WO disclosed
JP-H04191088-A THERMAL RECORDING MATERIAL OJI PAPER CO LTD 1992-07-09 JP disclosed