SCHEMBL28360575

SCHEMBL28360575

CC(O)COC(C)CO.CCCCOCC(C)O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
HSD17B10 Q99714 1/20 0.53
USP2 O75604 1/20 0.49
TSHR P16473 1/20 0.41
SPHK1 Q9NYA1 1/20 0.40
HTT P42858 2/20 0.40
PLA2G2C Q5R387 1/20 0.35
MAPT P10636 2/20 0.35
LPAR5 Q9H1C0 1/20 0.35
LPAR1 Q92633 4/20 0.34
LPAR3 Q9UBY5 4/20 0.34
LPAR2 Q9HBW0 1/20 0.34
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL28417594 0.97 TDP1 (0.61) TDP1HSD17B10USP2TSHRSPHK1
SCHEMBL5388064 0.95 TDP1 (0.56) TDP1HSD17B10USP2TSHRSPHK1
SCHEMBL27876030 0.93 TDP1 (0.56) TDP1HSD17B10USP2TSHRSPHK1
SCHEMBL3106120 0.93 TDP1 (0.55) TDP1HSD17B10USP2TSHRSPHK1
SCHEMBL28049174 0.92 TDP1 (0.54) TDP1HSD17B10USP2TSHRSPHK1
SCHEMBL4326588 0.91 TDP1 (0.53) TDP1HSD17B10USP2TSHRSPHK1
SCHEMBL4317193 0.91 TDP1 (0.62) TDP1HSD17B10USP2TSHRSPHK1
SCHEMBL56119 0.91 TDP1 (0.58) TDP1HSD17B10USP2TSHRSPHK1
SCHEMBL7816447 0.90 TDP1 (0.57) TDP1HSD17B10USP2TSHRSPHK1
SCHEMBL27842521 0.90 TDP1 (0.49) TDP1HSD17B10USP2TSHRSPHK1

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-107008908-B Powder material for three-dimensional modeling 株式会社理光 2020-03-17 CN disclosed