SCHEMBL9849581

SCHEMBL9849581

CC(C)(C)C(=O)C(O)OP(=O)(O)C(O)(CCCNC(=O)OCc1ccccc1)P(=O)(O)OC(O)C(=O)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TGM2 P21980 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
MAPT P10636 2/20 0.42
FOLH1 Q04609 2/20 0.41
HSD17B10 Q99714 1/20 0.40
ANPEP P15144 1/20 0.40

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
SCHEMBL8038121 0.83 HTT (0.55) HTTLMNASMN1; SMN2TGM2L3MBTL1
SCHEMBL8055648 0.81 HTT (0.53) HTTLMNASMN1; SMN2TGM2L3MBTL1
SCHEMBL9193616 0.81 HTT (0.48) HTTLMNASMN1; SMN2TGM2L3MBTL1
SCHEMBL3726894 0.80 HTT (0.60) HTTLMNASMN1; SMN2TGM2L3MBTL1
SCHEMBL8050960 0.78 HTT (0.52) HTTLMNASMN1; SMN2TGM2L3MBTL1
SCHEMBL9849436 0.77 HTT (0.46) HTTLMNASMN1; SMN2TGM2L3MBTL1
SCHEMBL7670412 0.77 HTT (0.53) HTTLMNASMN1; SMN2TGM2L3MBTL1
SCHEMBL9189651 0.77 HTT (0.46) HTTLMNASMN1; SMN2TGM2L3MBTL1
SCHEMBL8049635 0.76 LMNA (0.57) HTTLMNASMN1; SMN2TGM2L3MBTL1
SCHEMBL9849574 0.76 HTT (0.47) HTTLMNASMN1; SMN2TGM2L3MBTL1

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-0416689-A2 Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors MERCK & CO. INC. (US) 1991-03-13 EP disclosed