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SCHEMBL9353102

SCHEMBL9353102

CC(=O)OCC(=O)Nc1c(I)c(C(=O)NCC(CO)(CO)CNC(=O)c2c(I)c(NC(=O)COC(C)=O)c(I)c(C(=O)NC(C)(O)CO)c2I)c(I)c(C(=O)NC(C)(O)CO)c1I

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.39
▸ USP2 O75604 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL9352745 0.87 LMNA (0.34) LMNA
SCHEMBL10044854 0.81 LMNA (0.56) LMNAALDH1A1SMN1; SMN2
SCHEMBL10044855 0.76 LMNA (0.68) LMNA
SCHEMBL10044836 0.76 LMNA (0.57) LMNAALDH1A1SMN1; SMN2
SCHEMBL9278076 0.75 LMNA (0.45) LMNASMN1; SMN2
SCHEMBL9352774 0.75 LMNA (0.46) LMNASMN1; SMN2
SCHEMBL10044834 0.74 LMNA (0.38) LMNAHPGDALDH1A1SMN1; SMN2
SCHEMBL11560534 0.73 LMNA (0.34) LMNASMN1; SMN2
SCHEMBL11286320 0.73 LMNA (0.65) LMNAUSP2HPGDALDH1A1SMN1; SMN2
SCHEMBL9735266 0.73 RAB9A (0.31) —

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-0557345-B1 1,3-BIS- 3-(MONO- OR POLY-HYDROXY)ACYLAMINO-5-(MONO- OR POLY-HYDROXYALKYL)AMINOCARBONYL-2,4,6-TRIIODO-BENZOYL-AMINO]-HYDROXY- OR HYDROXYALKYL-PROPANES, THEIR METHODS OF PREPARATION AND X-RAY CONTRAST MEDIA CONTAINING THEM DIBRA SPA (IT) 1994-09-14 — — EP disclosed
WO-1992008691-A1 1,3-BIS-[3-(MONO- OR POLY-HYDROXY)ACYLAMINO-5-(MONO- OR POLY-HYDROXYALKYL)AMINOCARBONYL-2,4,6-TRIIODO-BENZOYL-AMINO]-HYDROXY- OR HYDROXYALKYL-PROPANES, THEIR METHODS OF PREPARATION AND X-RAY CONTRAST MEDIA CONTAINING THEM BRACCO INDUSTRIA CHIMICA S.P.A. (IT) 1992-05-29 — — WO disclosed