SCHEMBL31404690

SCHEMBL31404690

CCC(=O)OC(C)C.CCCCOC(=O)CC

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.62
LMNA P02545 2/20 0.53
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.44
HTT P42858 1/20 0.42
DGKA P23743 1/20 0.42
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.41
RAD52 P43351 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
FAAH O00519 1/20 0.40
DNM1 Q05193 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
HTR2C P28335 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL26794 0.85
SCHEMBL27817540 0.85 LMNA (0.53) NAAALMNAALDH1A1ATMDGKA
Undecane SCHEMBL28077638 0.84 LMNA (0.73) NAAALMNAALDH1A1DGKATSHR
SCHEMBL27845849 0.84 LMNA (0.73) NAAALMNAALDH1A1DGKATSHR
SCHEMBL28102378 0.84 LMNA (0.73) NAAALMNAALDH1A1DGKATSHR
Hexadecane SCHEMBL27628780 0.84 LMNA (0.73) NAAALMNAALDH1A1DGKATSHR
Tetradecane SCHEMBL27447005 0.84 LMNA (0.73) NAAALMNAALDH1A1DGKATSHR
Ammonia Solution, Strong SCHEMBL23711256 0.83 NAAA (0.78) NAAALMNAALDH1A1ATMHTT
Water SCHEMBL27611718 0.83 NAAA (0.78) NAAALMNAALDH1A1ATMHTT
Hydrochloric Acid SCHEMBL28177992 0.83 NAAA (0.78) NAAALMNAALDH1A1ATMHTT

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-119301768-A Secondary battery and electricity utilization device 宁德时代新能源科技股份有限公司 2025-01-10 CN claimed