SCHEMBL8199024

SCHEMBL8199024

CCC(C(=O)O)C(NC(=O)CCl)c1c(I)cc(I)cc1I

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
KEAP1 Q14145 2/20 0.36
NFE2L2 Q16236 2/20 0.36
HTT P42858 3/20 0.33
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
MITF O75030 1/20 0.30
THRB P10828 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL8206453 0.86 EPHX2 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL4754404 0.72 LMNA (0.37) ALDH1A1LMNATDP1THRB
SCHEMBL3831293 0.64 TDP1 (0.36) LMNATDP1
SCHEMBL9637089 0.62 TTR (0.42) ALDH1A1LMNASMN1; SMN2KDM4EMAPK1
SCHEMBL17137947 0.59 ALDH1A1 (0.62) ALDH1A1LMNASMN1; SMN2HTTNCOA1
SCHEMBL17137945 0.59 ALDH1A1 (0.62) ALDH1A1LMNASMN1; SMN2HTTNCOA1
SCHEMBL11739515 0.59 NOD1 (0.49) ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL11739510 0.59 NOD1 (0.49) ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL941953 0.59 LMNA (0.47) ALDH1A1LMNASMN1; SMN2HTTTDP1
SCHEMBL2377759 0.58 ALDH1A1 (0.59) ALDH1A1LMNASMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0703790-B1 IODINATED PARAMAGNETIC CHELATES, AND THEIR USE AS CONTRAST AGENTS BRACCO SPA (IT) 2000-08-16 EP disclosed
US-5660814-A Iodinated paramagnetic chelates, and their use as contrast agents DIBRA S.P.A. (IT) 1997-08-26 US disclosed