SCHEMBL28914950

SCHEMBL28914950

CCCCCCCCC(CC)OC(=O)c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.62
L3MBTL1 Q9Y468 1/20 0.58
MAPT P10636 4/20 0.56
NFKB1 P19838 2/20 0.56
NFKB2 Q00653 2/20 0.56
RELA Q04206 2/20 0.56
NPC1 O15118 1/20 0.56
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 1/20 0.53
HPGD P15428 1/20 0.53
PRKCA P17252 1/20 0.49
PRKCD Q05655 1/20 0.49
HTT P42858 1/20 0.46

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
SCHEMBL29534350 0.99 LMNA (0.60) LMNAL3MBTL1MAPTNFKB1NFKB2
SCHEMBL28359033 0.94 LMNA (0.64) LMNAL3MBTL1MAPTNFKB1NFKB2
SCHEMBL29040283 0.86 LMNA (0.64) LMNAL3MBTL1MAPTNFKB1NFKB2
SCHEMBL29263163 0.84 PRKCA (0.56) LMNATSHRALDH1A1KMT2AMEN1
SCHEMBL29139955 0.84 PRKCA (0.56) LMNATSHRALDH1A1KMT2AMEN1
SCHEMBL10215255 0.84 L3MBTL1 (0.58) LMNAL3MBTL1MAPTNFKB1NFKB2
SCHEMBL27414334 0.84 PRKCA (0.56) LMNATSHRALDH1A1KMT2AMEN1
SCHEMBL10884340 0.83 LMNA (0.60) LMNAL3MBTL1MAPTNFKB1NFKB2
Hydrochloric Acid SCHEMBL28446579 0.82 PRKCA (0.55) LMNATSHRALDH1A1KMT2AMEN1
SCHEMBL297352 0.82 PRKCA (0.57) LMNATSHRALDH1A1KMT2AMEN1

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-112955115-A Bioenergy glyceryl nicotinates, compositions and methods of using the same 联合利华知识产权控股有限公司 2021-06-11 CN disclosed