SCHEMBL28936985

SCHEMBL28936985

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.39
HTT P42858 2/20 0.33
MAPT P10636 2/20 0.33
SPHK1 Q9NYA1 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
GBA2 Q9HCG7 2/20 0.31
GBA1 P04062 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 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
SCHEMBL5388064 0.92 TDP1 (0.56) TDP1USP2TSHRHSD17B10HTT
SCHEMBL28717531 0.90 TDP1 (0.61) TDP1USP2HSD17B10
SCHEMBL3106120 0.90 TDP1 (0.55) TDP1USP2TSHRHSD17B10HTT
SCHEMBL4317193 0.89 TDP1 (0.62) TDP1USP2TSHRHSD17B10HTT
SCHEMBL56119 0.89 TDP1 (0.58) TDP1USP2TSHRHSD17B10HTT
SCHEMBL28715071 0.88 TDP1 (0.62) TDP1USP2HSD17B10
SCHEMBL8642763 0.87 USP2 (0.54) TDP1USP2TSHRHSD17B10HTT
SCHEMBL27876030 0.87 TDP1 (0.56) TDP1USP2TSHRHSD17B10HTT
Butoxyethanol SCHEMBL491444 0.87 TSHR (0.57) TDP1USP2TSHRHSD17B10HTT
SCHEMBL28360575 0.87 TDP1 (0.59) TDP1USP2TSHRHSD17B10HTT

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-114270453-A Adhesive conductor paste 株式会社大赛璐 2022-04-01 CN disclosed