SCHEMBL28484247

SCHEMBL28484247

Cc1ccc(C)c(C)c1.N=C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 1/20 0.42
RAPGEF4 Q8WZA2 2/20 0.39
NPC1 O15118 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2A6 P11509 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL57492 1.00 TDP1 (0.42) TDP1ALDH1A1TP53RAPGEF4NPC1
SCHEMBL29365203 0.84
SCHEMBL1135726 0.84 TDP1 (0.55) TDP1ALDH1A1TP53RAPGEF4NPC1
SCHEMBL19744496 0.84 TDP1 (0.55) TDP1ALDH1A1TP53RAPGEF4NPC1
SCHEMBL60541 0.84
Formaldehyde SCHEMBL26618259 0.81 TDP1 (0.48) TDP1ALDH1A1TP53RAPGEF4NPC1
SCHEMBL8117972 0.81 TDP1 (0.52) TDP1ALDH1A1TP53RAPGEF4NPC1
Methane SCHEMBL28558734 0.81 TDP1 (0.52) TDP1ALDH1A1TP53RAPGEF4NPC1
Water SCHEMBL5175477 0.81 TDP1 (0.52) TDP1ALDH1A1TP53RAPGEF4NPC1
SCHEMBL31498554 0.81 TDP1 (0.52) TDP1ALDH1A1TP53RAPGEF4NPC1

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-116802774-A Hollow microsphere 株式会社德山 2023-09-22 CN disclosed
CN-114667185-A Method for producing microspheres 株式会社德山 2022-06-24 CN disclosed
CN-105531258-B Reactive antibacterial compound and preparation method thereof 深圳大学 2020-11-20 CN disclosed