SCHEMBL22768549

SCHEMBL22768549

CC(=O)[C@H](CCC(=O)N[C@@H](CCC(=O)NCCCCCC=O)C(=O)NCCCCCC=O)NC(=O)CNC(=O)CCCCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GLP1R P43220 8/20 0.38
▸ LPAR3 Q9UBY5 4/20 0.36
▸ LPAR1 Q92633 2/20 0.35
▸ HPGD P15428 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ROCK2 O75116 2/20 0.32
▸ SIRT2 Q8IXJ6 2/20 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
SCHEMBL13567279 0.80 HPGD (0.43) GLP1RHPGDMEN1ALDH1A1KMT2A
SCHEMBL16976283 0.78 HPGD (0.40) GLP1RHPGDMEN1ALDH1A1KMT2A
SCHEMBL13743018 0.78 GLP1R (0.41) GLP1RLPAR3HPGDMEN1ALDH1A1
SCHEMBL21846024 0.77 GLP1R (0.37) GLP1RLPAR3LPAR1HPGDMEN1
SCHEMBL16328781 0.76 LPAR3 (0.47) GLP1RLPAR3LPAR1HPGDMEN1
SCHEMBL25132733 0.76 BCHE (0.42) GLP1RMEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL19465313 0.76 HPGD (0.46) GLP1RHPGDMEN1ALDH1A1KMT2A
SCHEMBL13566483 0.76 HPGD (0.46) GLP1RHPGDMEN1ALDH1A1KMT2A
SCHEMBL22769000 0.76 GLP1R (0.34) GLP1RHPGDHTTSMN1; SMN2
SCHEMBL28103026 0.76 SIRT6 (0.42) GLP1RLPAR3LPAR1HPGDMEN1

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-2020247297-A1 GLUCOSE-RESPONSIVE INSULIN CONJUGATES MERCK SHARP & DOHME CORP. (US) 2020-12-10 — — WO disclosed
Send feedback