SCHEMBL24626985

SCHEMBL24626985

CC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)CCSCc2cc(CSCCNC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CC3)cc(c2)CSCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(N)=O)NC1=O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EHD1 Q9H4M9 7/20 0.50
SLC40A1 Q9NP59 5/20 0.46
NMUR2 Q9GZQ4 1/20 0.45
NMUR1 Q9HB89 1/20 0.45
CTSG P08311 1/20 0.40
MEN1 O00255 1/20 0.40
HDAC4 P56524 1/20 0.40
TCF4 P15884 1/20 0.40
CTNNB1 P35222 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGB1 P05556 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA5 P08648 1/20 0.39
ITGB5 P18084 1/20 0.39
BIRC3 Q13489 1/20 0.39
PLAU P00749 1/20 0.38

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
SCHEMBL24627031 0.99 EHD1 (0.50) EHD1SLC40A1NMUR2NMUR1CTSG
SCHEMBL24627252 0.97 EHD1 (0.50) EHD1SLC40A1NMUR2NMUR1CTSG
SCHEMBL24626997 0.90 EHD1 (0.47) EHD1SLC40A1NMUR2NMUR1CTSG
SCHEMBL24627222 0.90 EHD1 (0.44) EHD1SLC40A1NMUR2NMUR1CTSG
SCHEMBL24626969 0.90 EHD1 (0.44) EHD1SLC40A1NMUR2NMUR1CTSG
SCHEMBL24627075 0.88 EHD1 (0.43) EHD1SLC40A1NMUR2NMUR1CTSG
SCHEMBL24626991 0.86 EHD1 (0.58) EHD1SLC40A1MEN1HDAC4TCF4
SCHEMBL22887739 0.85 SLC40A1 (0.58) EHD1SLC40A1NMUR2NMUR1TCF4
SCHEMBL24627335 0.84 EHD1 (0.53) EHD1SLC40A1MEN1HDAC4TCF4
SCHEMBL24627014 0.83 EHD1 (0.47) EHD1SLC40A1NMUR2NMUR1PLAU

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-2022148843-A1 COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF 3B PHARMACEUTICALS GMBH (DE) 2022-07-14 WO disclosed