SCHEMBL31098144

SCHEMBL31098144

CC(O)COc1ccc(C(=O)c2ccccc2)cc1.[Na]

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.66
LMNA P02545 3/20 0.66
MAPK1 P28482 2/20 0.57
GAA P10253 1/20 0.57
ELANE P08246 3/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
HTT P42858 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
ALDH1A1 P00352 2/20 0.54
PPARA Q07869 1/20 0.53
MAPT P10636 2/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
XBP1 P17861 1/20 0.51

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
SCHEMBL4200509 0.98 LMNA (0.68) ABCB1LMNAMAPK1GAAELANE
SCHEMBL9618955 0.97 ABCB1 (0.66) ABCB1LMNAMAPK1GAAELANE
Trimethylammonium SCHEMBL28010669 0.94 ABCB1 (0.67) ABCB1LMNAMAPK1GAAELANE
SCHEMBL10592803 0.92 LMNA (0.60) ABCB1LMNAMAPK1GAAELANE
SCHEMBL16526411 0.87 MAPT (0.67) ABCB1LMNAMAPK1GAAELANE
SCHEMBL18543110 0.85 ABCB1 (0.71) ABCB1LMNAMAPK1GAASMN1; SMN2
SCHEMBL9075178 0.85 ABCB1 (0.62) ABCB1LMNAMAPK1GAAELANE
SCHEMBL2277722 0.84 ABCB1 (0.67) ABCB1LMNAMAPK1GAASMN1; SMN2
SCHEMBL11884564 0.84 ABCB1 (0.62) ABCB1LMNAMAPK1GAAELANE
Benzoic Acid SCHEMBL7771041 0.83 LMNA (0.76) ABCB1LMNAMAPK1MAPTCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119633760-A Graphene-based composite material with magnetism for degrading dye and preparation method thereof 苏州经贸职业技术学院 2025-03-18 CN disclosed
CN-118852899-A Coating slurry, preparation method of separator, separator and battery 深圳市星源材质科技股份有限公司 2024-10-29 CN disclosed