SCHEMBL31096458

SCHEMBL31096458

FC(F)(F)c1cccc(OCCCCl)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
GAA P10253 2/20 0.50
HTT P42858 2/20 0.50
MAOB P27338 1/20 0.50
AOC3 Q16853 1/20 0.50
USP2 O75604 1/20 0.50
KMT2A Q03164 1/20 0.49
ALOX15 P16050 1/20 0.49
LTA4H P09960 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
PKM P14618 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL9721587 1.00 L3MBTL1 (0.59) L3MBTL1KDM4EALDH1A1LMNAGAA
SCHEMBL7199882 0.95 L3MBTL1 (0.57) L3MBTL1KDM4EALDH1A1LMNAGAA
SCHEMBL6573378 0.93 L3MBTL1 (0.59) L3MBTL1KDM4EALDH1A1LMNAGAA
SCHEMBL10043036 0.85 L3MBTL1 (0.54) L3MBTL1KDM4EALDH1A1LMNAGAA
SCHEMBL3070962 0.84 L3MBTL1 (0.57) L3MBTL1KDM4EALDH1A1LMNAGAA
SCHEMBL2429378 0.84 L3MBTL1 (0.66) L3MBTL1KDM4EALDH1A1LMNAGAA
SCHEMBL2089594 0.84 L3MBTL1 (0.57) L3MBTL1KDM4EALDH1A1LMNAGAA
SCHEMBL7433998 0.84 L3MBTL1 (0.57) L3MBTL1KDM4EALDH1A1LMNAGAA
SCHEMBL2089596 0.84 L3MBTL1 (0.57) L3MBTL1KDM4EALDH1A1LMNAGAA
SCHEMBL10692820 0.84 L3MBTL1 (0.57) L3MBTL1KDM4EALDH1A1LMNAGAA

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-118561724-A Preparation method of alkyl-alkyl sulfone compound based on metal reducing agent 西安交通大学 2024-08-30 CN disclosed