SCHEMBL5590900

SCHEMBL5590900

CCCOC(C)COC(=O)OCC(C)OCCC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 1/20 0.37
TSHR P16473 3/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS1 P23219 1/20 0.33
APEX1 P27695 1/20 0.33
THPO P40225 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
SOAT1 P35610 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL1470227 0.88 ALDH1A1 (0.43) TDP1ALDH1A1TSHRLMNACYP3A4
SCHEMBL2779992 0.85 ALDH1A1 (0.45) TDP1ALDH1A1HSD17B10TSHRLMNA
SCHEMBL1469323 0.84 ALDH1A1 (0.45) TDP1ALDH1A1TSHRLMNACYP3A4
SCHEMBL9467762 0.83 ALOX15 (0.43) TDP1HSD17B10TSHRLMNACYP3A4
SCHEMBL5918169 0.83 NAAA (0.44) TDP1ALDH1A1HSD17B10TSHRLMNA
SCHEMBL10386988 0.83 TDP1 (0.41) TDP1ALDH1A1HSD17B10TSHRMAPT
SCHEMBL1469367 0.83 ALDH1A1 (0.46) TDP1ALDH1A1TSHRLMNACYP3A4
SCHEMBL1469447 0.82 ALDH1A1 (0.48) TDP1ALDH1A1HSD17B10TSHRLMNA
SCHEMBL20210831 0.82 TDP1 (0.44) TDP1ALDH1A1HSD17B10TSHRLMNA
SCHEMBL896813 0.82 TDP1 (0.44) TDP1ALDH1A1HSD17B10TSHRLMNA

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
JP-2007254360-A NEW CARBONIC ESTER ASAHI KASEI CHEMICALS CORP 2007-10-04 JP disclosed