SCHEMBL23874288

SCHEMBL23874288

CC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCCNC(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TSHR P16473 1/20 0.36
▸ CES2 O00748 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ADRB2 P07550 2/20 0.32
▸ ADRB1 P08588 2/20 0.32
▸ CA12 O43570 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ CA4 P22748 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ CA14 Q9ULX7 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL26020310 0.97 MEN1 (0.41) GLP1RMEN1KMT2ATSHRCES2
SCHEMBL21440817 0.90 MEN1 (0.45) GLP1RMEN1KMT2ACES2KDM4E
SCHEMBL21440836 0.90 MEN1 (0.45) GLP1RMEN1KMT2ACES2KDM4E
SCHEMBL21501611 0.89 CES2 (0.38) GLP1RMEN1KMT2ATSHRCES2
SCHEMBL21925758 0.88 GLP1R (0.39) GLP1RMEN1KMT2ATSHRKDM4E
SCHEMBL20388153 0.87 MEN1 (0.45) GLP1RMEN1KMT2ATSHRCES2
SCHEMBL12147645 0.87 TSHR (0.47) GLP1RMEN1KMT2ATSHRCES2
SCHEMBL26865995 0.85 MEN1 (0.41) GLP1RMEN1KMT2ATSHRKDM4E
SCHEMBL26866021 0.85 GLP1R (0.48) GLP1RMEN1KMT2ATSHRPOLB
SCHEMBL22764284 0.85 TSHR (0.40) MEN1KMT2ATSHRCES2ALDH1A1

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
WO-2021193984-A2 QD DOSING OF GIP RECEPTOR AGONIST PEPTIDE COMPOUNDS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-09-30 — — WO disclosed
Send feedback