SCHEMBL29040283

SCHEMBL29040283

CCCCCCCC(O)OC(=O)c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.64
L3MBTL1 Q9Y468 1/20 0.59
MAPT P10636 4/20 0.57
NFKB1 P19838 2/20 0.57
NFKB2 Q00653 2/20 0.57
RELA Q04206 2/20 0.57
POLB P06746 2/20 0.57
NPC1 O15118 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 4/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 1/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47

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
SCHEMBL28359033 0.87 LMNA (0.64) LMNAL3MBTL1MAPTNFKB1NFKB2
SCHEMBL28914950 0.86 LMNA (0.62) LMNAL3MBTL1MAPTNFKB1NFKB2
SCHEMBL29534350 0.84 LMNA (0.60) LMNAL3MBTL1MAPTNFKB1NFKB2
SCHEMBL10884340 0.84 LMNA (0.60) LMNAL3MBTL1MAPTNFKB1NFKB2
SCHEMBL10791097 0.83 CTSK (0.54) LMNANPC1SMN1; SMN2TSHRALDH1A1
SCHEMBL27650049 0.83 CTSK (0.54) LMNANPC1SMN1; SMN2TSHRALDH1A1
SCHEMBL8528683 0.81 ALDH1A1 (0.47) LMNAMAPTNPC1SMN1; SMN2CYP1A2
SCHEMBL8744471 0.81 LMNA (0.70) LMNAL3MBTL1MAPTNFKB1NFKB2
SCHEMBL28868432 0.80 L3MBTL1 (0.60) LMNAL3MBTL1MAPTNFKB1NFKB2
SCHEMBL9717153 0.80 LMNA (0.68) LMNAL3MBTL1MAPTNFKB1NFKB2

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-116490598-A Detergent compositions with enhanced efficacy delivery of substances 株式会社LG生活健康 2023-07-25 CN disclosed