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SCHEMBL8415013

SCHEMBL8415013

CC(=O)OCC(=O)Nc1c(I)c(CCC(=O)O)c(I)c(NC(=O)COC(C)=O)c1I.Nc1c(I)c(N)c(I)c(CCC(=O)O)c1I

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ USP2 O75604 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ LMNA P02545 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
SCHEMBL7594233 0.92 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1HSD17B10HPGDNPC1
SCHEMBL8415016 0.89 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1HSD17B10HPGDNPC1
SCHEMBL8415132 0.84 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1HSD17B10HPGDNPC1
SCHEMBL7595206 0.81 LMNA (0.33) ALDH1A1NPC1RAB9ALMNA
SCHEMBL8416621 0.79 HDAC3 (0.31) —
SCHEMBL8416636 0.78 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1HSD17B10HPGDUSP2
SCHEMBL7591976 0.77 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1HSD17B10HPGDNPC1
SCHEMBL7592876 0.75 HSD17B10 (0.38) ALDH1A1HSD17B10LMNA
SCHEMBL8342120 0.73 LMNA (0.47) SMN1; SMN2ALDH1A1HSD17B10HPGDNPC1
SCHEMBL22645203 0.70 LMNA (0.47) SMN1; SMN2ALDH1A1HSD17B10HPGDNPC1

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
EP-0782564-B1 IODINATED X-RAY CONTRAST MEDIA NYCOMED IMAGING AS (NO) 1999-09-01 — — EP disclosed