SCHEMBL3086368

SCHEMBL3086368

CCCCCCCN(CCCCCCC)CCNC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
EPHX1 P07099 1/20 0.46
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
DRD2 P14416 3/20 0.43
CA7 P43166 1/20 0.42
CA14 Q9ULX7 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
DNM1 Q05193 1/20 0.41
ACHE P22303 5/20 0.40
KDM5A P29375 2/20 0.40
PHF8 Q9UPP1 2/20 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
SCHEMBL1039167 1.00 TDP1 (0.53) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL28997957 1.00 TDP1 (0.53) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL28164497 1.00 TDP1 (0.53) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL29565812 1.00 TDP1 (0.53) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL28997020 1.00 TDP1 (0.53) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL18778561 1.00 TDP1 (0.53) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL28996933 1.00 TDP1 (0.53) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL23606549 0.94 TDP1 (0.61) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL24849943 0.94 TDP1 (0.61) TDP1MAOAMAOBMEN1KMT2A
SCHEMBL20556404 0.91 TDP1 (0.44) TDP1MAOAMAOBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106977577-A The synthesis of two class abiraterone derivatives 湖南师范大学 2017-07-25 CN claimed
US-9677115-B2 Enzyme substrates for visualizing acidic organelles MARKER GENE TECHNOLOGIES, INC. (US) 2017-06-13 US disclosed
US-20130252268-A1 Enzyme substrates for visualizing acidic organelles MARKER GENE TECHNOLOGIES, INC. (US) 2013-09-26 US disclosed
US-8460862-B2 Enzyme substrates for visualizing acidic organelles Marker Gene Technologies (US) 2013-06-11 US disclosed
US-20100233744-A1 Enzyme substrates for visualizing acidic organelles MARKER GENE TECHNOLOGIES, INC. 2010-09-16 US disclosed