SCHEMBL28659652

SCHEMBL28659652

COC(=O)c1c(C)cc(OC(C)=O)cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
CYP3A4 P08684 7/20 0.56
HPGD P15428 3/20 0.56
ACHE P22303 2/20 0.50
GLO1 Q04760 1/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 4/20 0.40
MAPT P10636 2/20 0.40
GLA P06280 2/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
TTR P02766 1/20 0.40

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
SCHEMBL9246548 0.90 POLB (0.60) POLBCYP3A4HPGDACHEGLO1
SCHEMBL11067587 0.82 CYP3A4 (0.79) POLBCYP3A4HPGDACHEGLO1
SCHEMBL6364662 0.81 LMNA (0.52) POLBCYP3A4ACHEKMT2ALMNA
SCHEMBL28602356 0.81 CYP3A4 (0.61) POLBCYP3A4HPGDACHEGLO1
SCHEMBL7945941 0.81 POLB (0.58) POLBCYP3A4HPGDKMT2ALMNA
SCHEMBL10834970 0.80 HSD17B10 (0.53) POLBCYP3A4HPGDACHEKMT2A
SCHEMBL14700496 0.79 POLB (0.51) POLBCYP3A4HPGDACHEKMT2A
SCHEMBL23796464 0.79 POLB (0.49) POLBCYP3A4HPGDACHEKMT2A
SCHEMBL1036031 0.77 CYP3A4 (0.59) POLBCYP3A4HPGDACHEGLO1
SCHEMBL23063633 0.77 POLB (0.77) POLBCYP3A4HPGDACHEGLO1

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-113748021-A Method for producing liquid crystal polyester processed product 本州化学工业株式会社 2021-12-03 CN disclosed