SCHEMBL8586015

SCHEMBL8586015

COC(=O)C1(Cc2ccc(OC)cc2)CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
KMT2A Q03164 4/20 0.52
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
MMP1 P03956 2/20 0.47
MAPT P10636 1/20 0.47
ITGB1 P05556 2/20 0.47
ITGA4 P13612 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
EPHX2 P34913 1/20 0.47
KCNH2 Q12809 1/20 0.46
MEN1 O00255 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL6627416 0.86 ITGB1 (0.47) ALDH1A1KMT2ALMNAPOLBMMP1
SCHEMBL8587184 0.85 KMT2A (0.52) ALDH1A1KMT2ALMNAPOLBMMP1
SCHEMBL6627953 0.85 ALDH1A1 (0.70) ALDH1A1KMT2ALMNAPOLBMAPT
SCHEMBL28840825 0.85 CYP4F2 (0.42) ALDH1A1KMT2APOLBMMP1NPC1
SCHEMBL5523971 0.85 ALDH1A1 (0.46) ALDH1A1KMT2ALMNAPOLBMMP1
SCHEMBL5750629 0.84 POLB (0.46) ALDH1A1KMT2ALMNAPOLBMAPT
SCHEMBL4907162 0.84 TACR1 (0.47) ALDH1A1KMT2ALMNAMMP1MAPT
SCHEMBL12353911 0.84 CYP4F2 (0.44) ALDH1A1KMT2ALMNAPOLBNPC1
SCHEMBL6626906 0.84 ALDH1A1 (0.48) ALDH1A1KMT2ALMNAPOLBMMP1
SCHEMBL18759154 0.84 ITGB1 (0.46) ALDH1A1KMT2ALMNAPOLBMMP1

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
WO-1998031697-A1 ARYL C-GLYCOSIDE COMPOUNDS AND SULFATED ESTERS THEREOF SANKYO COMPANY, LIMITED (JP) 1998-07-23 WO disclosed