SCHEMBL9816290

SCHEMBL9816290

CCOC(=O)[C@H](CC(C)C)NC(=O)c1c(I)c(NC(C)=O)c(I)c(NC(C)=O)c1I

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.43
LMNA P02545 3/20 0.41
TAS1R3 Q7RTX0 9/20 0.40
TAS1R1 Q7RTX1 9/20 0.40
FPR2 P25090 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ANPEP P15144 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL9816287 0.87 LMNA (0.44) LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL10875915 0.85 LMNA (0.41) PPIDLMNASMN1; SMN2ALDH1A1
SCHEMBL10875914 0.85 LMNA (0.41) PPIDLMNASMN1; SMN2ALDH1A1
SCHEMBL9816280 0.84 LMNA (0.49) LMNASMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL9816296 0.84 ALDH1A1 (0.53) LMNAFPR2SMN1; SMN2ALDH1A1MAPT
SCHEMBL9816321 0.84 LMNA (0.40) PPIDLMNASMN1; SMN2ALDH1A1
SCHEMBL10877166 0.83 L3MBTL1 (0.52) LMNASMN1; SMN2ALDH1A1
SCHEMBL10878174 0.80 TACR1 (0.48) FPR2
SCHEMBL332859 0.76 LMNA (0.54) LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL5813383 0.74 ALDH1A1 (0.60) PPIDLMNATAS1R3TAS1R1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0153992-B1 WATER SOLUBLE DERIVATIVES OF 3,5-DIACETO AMIDO-2,4,6-TRIIODOBENZOIC ACID AND PROCESS FOR THEIR PREPARATION AND USE Dr. Franz Köhler Chemie GmbH (DE) 1991-10-16 EP disclosed
US-4607123-A X-RAY CONTRAST AGENTS DR. FRANZ KOHLER CHEMIE GMBH (DE) 1986-08-19 US disclosed
EP-0153992-A2 Water soluble derivatives of 3,5-diaceto amido-2,4,6-triiodobenzoic acid and process for their preparation and use Dr. Franz Köhler Chemie GmbH (DE) 1985-09-11 EP disclosed