Hexanoate

Hexanoate

SCHEMBL4243024

CCCCCC(=O)O.NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.79
MEN1 O00255 1/20 0.79
ABL1 P00519 1/20 0.79
LMNA P02545 1/20 0.79
PKM P14618 1/20 0.79
IDE P14735 1/20 0.79
MAPK1 P28482 1/20 0.79
KMT2A Q03164 1/20 0.79
RIN1 Q13671 1/20 0.79
L3MBTL1 Q9Y468 1/20 0.79
HLCS P50747 6/20 0.72
CA12 O43570 7/20 0.50
CA1 P00915 7/20 0.50
CA2 P00918 7/20 0.50
CA9 Q16790 7/20 0.50

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
Biotin SCHEMBL987288 1.00 TDP1 (0.79) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL8651197 0.95 TDP1 (0.87) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL6033491 0.95 TDP1 (0.87) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL8672968 0.94 TDP1 (0.85) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL23722253 0.94 TDP1 (0.90) TDP1MEN1ABL1LMNAPKM
Stearic Acid SCHEMBL10828834 0.93 TDP1 (0.83) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL4957081 0.93 TDP1 (0.87) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL3518095 0.93 TDP1 (0.87) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL27671459 0.93 TDP1 (0.87) TDP1MEN1ABL1LMNAPKM
Biotin SCHEMBL715457 0.92 TDP1 (0.77) TDP1MEN1ABL1LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114524875-B Nano silicon sphere coupled with IL-1 beta monoclonal antibody and application thereof 江苏莱森生物科技研究院有限公司 2023-07-25 CN disclosed
US-20170240887-A1 LIGAND SCREENING AND DISCOVERY DYAX CORP. (US) 2017-08-24 US disclosed
US-9562902-B2 Ligand screening and discovery DYAX CORP. (US) 2017-02-07 US disclosed
US-20150087533-A1 LIGAND SCREENING AND DISCOVERY DYAX CORP. (US) 2015-03-26 US disclosed
US-8846579-B2 Ligand screening and discovery TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-30 US disclosed
US-20130274112-A1 LIGAND SCREENING AND DISCOVERY DYAX CORP. 2013-10-17 US disclosed
US-8445410-B2 Ligand screening and discovery DYAX CORP. (US) 2013-05-21 US disclosed
US-20090105083-A1 Ligand Screening and Discovery DYAX CORP., A DELAWARE CORPORATION 2009-04-23 US disclosed
US-7244592-B2 Identifying immunoglobulins for use as therapeutic, diagnostic an/or affinity separation agents; in vitro translation DYAX CORP. (US) 2007-07-17 US disclosed
US-20030224408-A1 Identifying immunoglobulins for use as therapeutic, diagnostic an/or affinity separation agents; in vitro translation DYAX CORPORATION 2003-12-04 US disclosed