SCHEMBL30327643

SCHEMBL30327643

OCCCOc1ccccc1OCCCO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
JAK2 O60674 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 1/20 0.50
RECQL P46063 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
IDO1 P14902 1/20 0.45
NPC1 O15118 1/20 0.45
PTK2B Q14289 1/20 0.45
PDE5A O76074 1/20 0.45
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
PTPN1 P18031 1/20 0.44

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
SCHEMBL715500 1.00 LMNA (0.56) LMNAJAK2GAAMAPTKDM4E
SCHEMBL30292268 0.90 ALDH1A1 (0.56) LMNAJAK2GAAMAPTKDM4E
SCHEMBL29206247 0.90 ALDH1A1 (0.56) LMNAJAK2GAAMAPTKDM4E
SCHEMBL30292306 0.90 ALDH1A1 (0.56) LMNAJAK2GAAMAPTKDM4E
SCHEMBL5825340 0.89 ALDH1A1 (0.65) LMNAMAPTALDH1A1HSD17B10L3MBTL1
SCHEMBL8542666 0.87 LMNA (0.56) LMNAJAK2GAAMAPTALDH1A1
SCHEMBL238824 0.86 ALDH1A1 (0.61) LMNAJAK2GAAMAPTKDM4E
SCHEMBL29510942 0.86 ALDH1A1 (0.61) LMNAJAK2GAAMAPTKDM4E
SCHEMBL29434581 0.86 GAA (0.72) LMNAJAK2GAAMAPTALDH1A1
SCHEMBL2349415 0.86 GAA (0.72) LMNAJAK2GAAMAPTALDH1A1

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-110325618-B Thermochromic color-memory composition and thermochromic color-memory microcapsule pigment encapsulating same 百乐墨水株式会社 2023-01-10 CN disclosed