SCHEMBL28059337

SCHEMBL28059337

CCCCOC(=O)CC(=O)O.[Ti]

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
NAAA Q02083 1/20 0.52
FAAH O00519 2/20 0.52
ATM Q13315 1/20 0.48
HCAR2 Q8TDS4 1/20 0.47
DGKA P23743 1/20 0.47
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
RAD52 P43351 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
EPHX1 P07099 1/20 0.44
ACHE P22303 6/20 0.42
PAM P19021 2/20 0.42

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
SCHEMBL217404 0.98 ALDH1A1 (0.54) ALDH1A1NAAAFAAHATMHCAR2
Butane SCHEMBL455717 0.96 ALDH1A1 (0.52) ALDH1A1NAAAFAAHATMHCAR2
SCHEMBL27407560 0.96 ALDH1A1 (0.52) ALDH1A1NAAAFAAHATMHCAR2
SCHEMBL3200912 0.96 ALDH1A1 (0.52) ALDH1A1NAAAFAAHATMHCAR2
Ammonia Solution, Strong SCHEMBL3204230 0.96 ALDH1A1 (0.52) ALDH1A1NAAAFAAHATMHCAR2
SCHEMBL27693150 0.96 ALDH1A1 (0.52) ALDH1A1NAAAFAAHATMHCAR2
Hydrochloric Acid SCHEMBL10895277 0.96 ALDH1A1 (0.52) ALDH1A1NAAAFAAHATMHCAR2
Rubidium SCHEMBL3200922 0.96 ALDH1A1 (0.52) ALDH1A1NAAAFAAHATMHCAR2
SCHEMBL3187651 0.96 ALDH1A1 (0.52) ALDH1A1NAAAFAAHATMHCAR2
SCHEMBL240775 0.91 NAAA (0.63) NAAAFAAHHCAR2DGKATSHR

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
CN-105483606-A Surface treatment method for nickel-titanium memory alloy suture line JINAN TAILILONG ENTPR MAN CONSULTING CO LTD 2016-04-13 CN disclosed