SCHEMBL7602117

SCHEMBL7602117

NC(=O)CC[C@H](NC(=O)CCCCCNC(=O)CC[C@H](NC(=O)CCCc1ccccc1)C(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALB P02768 4/20 0.53
LMNA P02545 2/20 0.53
PKM P14618 1/20 0.53
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
CTSG P08311 1/20 0.49
CMA1 P23946 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
NAMPT P43490 2/20 0.48
F13A1 P00488 1/20 0.48

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
SCHEMBL7602169 0.92 ALB (0.47) ALBLMNAPKMTSHRL3MBTL1
SCHEMBL402067 0.89 SMN1; SMN2 (0.55) LMNAPKMITGB3ITGA2BCTSG
SCHEMBL7602174 0.84 PTPN2 (0.42)
SCHEMBL28229751 0.82 KMT2A (0.57) ITGB3ITGA2BHDAC1HDAC2HDAC8
SCHEMBL5273134 0.82 KMT2A (0.57) ITGB3ITGA2BHDAC1HDAC2HDAC8
SCHEMBL27325995 0.81 NOD1 (0.57)
SCHEMBL8617351 0.81 CHRNB2 (0.53) ALBLMNATSHRITGB3ITGA2B
SCHEMBL19389377 0.81 FOLH1 (0.64) LMNATSHR
SCHEMBL22199554 0.80 NOD1 (0.70)
SCHEMBL15360200 0.80 GLP1R (0.69) ALB

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-2012062803-A1 DOUBLE-ACYLATED GLP-1 DERIVATIVES NOVO NORDISK A/S (DK) 2012-05-18 WO disclosed