SCHEMBL31270696

SCHEMBL31270696

CCCCC(CC)COC(=O)C=CC=Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.64
ALDH1A1 P00352 5/20 0.55
CYP3A4 P08684 3/20 0.55
CA2 P00918 1/20 0.55
TSHR P16473 4/20 0.52
LMNA P02545 6/20 0.51
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50
PRSS3 P35030 1/20 0.50
MAPK1 P28482 3/20 0.48
ATM Q13315 1/20 0.45
HSD17B10 Q99714 1/20 0.44
HDAC3 O15379 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 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
SCHEMBL483426 0.91 TDP1 (0.76) TDP1ALDH1A1CYP3A4CA2TSHR
SCHEMBL483427 0.91 TDP1 (0.76) TDP1ALDH1A1CYP3A4CA2TSHR
SCHEMBL28188071 0.90 TDP1 (0.74) TDP1ALDH1A1CYP3A4CA2TSHR
Juarezic Acid SCHEMBL9843114 0.89 TSHR (0.62) TDP1ALDH1A1CYP3A4CA2TSHR
SCHEMBL28378630 0.86 TDP1 (0.67) TDP1ALDH1A1CYP3A4CA2TSHR
Juarezic Acid SCHEMBL9843358 0.84 TSHR (0.56) TDP1ALDH1A1CYP3A4CA2TSHR
SCHEMBL19244318 0.84 TDP1 (0.73) TDP1ALDH1A1CYP3A4CA2TSHR
SCHEMBL19244317 0.84 TDP1 (0.73) TDP1ALDH1A1CYP3A4CA2TSHR
SCHEMBL818398 0.84 TSHR (0.71) TDP1ALDH1A1CYP3A4CA2TSHR
SCHEMBL821205 0.84 TSHR (0.71) TDP1ALDH1A1CYP3A4CA2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120143567-A Positively charged nonmagnetic toner and preparation method thereof 广东精耀科技有限公司 2025-06-13 CN disclosed
CN-119376203-A Positively charged nonmagnetic toner and preparation method thereof 广东精耀科技有限公司 2025-01-28 CN disclosed
CN-119148484-A Positively charged nonmagnetic toner and preparation method thereof 广东精耀科技有限公司 2024-12-17 CN disclosed