SCHEMBL8100587

SCHEMBL8100587

CCOC(Cc1ccccc1)(OCC)C(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.43
MMP8 P22894 1/20 0.43
CES1 P23141 3/20 0.41
SRC P12931 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
HIF1A Q16665 1/20 0.41
KMT2A Q03164 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
CES2 O00748 1/20 0.38
PPID Q08752 1/20 0.38
PTPN1 P18031 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL9005043 0.84 CES1 (0.44) ALDH1A1CES1SRCSMN1; SMN2HIF1A
SCHEMBL28536864 0.83 CES1 (0.51) ALDH1A1RECQLMMP8CES1SRC
SCHEMBL27488524 0.80 SMN1; SMN2 (0.44) ALDH1A1RECQLMMP8SMN1; SMN2HIF1A
SCHEMBL6753621 0.79 CES1 (0.44) CES1SRCKMT2ATDP1LMNA
SCHEMBL11371306 0.77 CES1 (0.47) ALDH1A1CES1SRCSMN1; SMN2HIF1A
SCHEMBL34466536 0.75 SRC (0.50) ALDH1A1CES1SRCSMN1; SMN2HIF1A
SCHEMBL11251806 0.75 CES1 (0.46) ALDH1A1CES1SRCSMN1; SMN2HIF1A
SCHEMBL9004611 0.75 CES1 (0.46) ALDH1A1CES1SRCHIF1AKMT2A
SCHEMBL7741777 0.75 SRC (0.50) ALDH1A1CES1SRCSMN1; SMN2HIF1A
SCHEMBL34466866 0.74 CES1 (0.44) ALDH1A1RECQLCES1SRCSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060085-A1 INK JET RECORDING SHEET MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-12-20 EP disclosed
WO-1999042296-A1 INK JET RECORDING SHEET MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-08-26 WO disclosed