SCHEMBL9190688

SCHEMBL9190688

CCC(CC)C(=O)OCOP(=O)(O)C(O)(CCCNC(=O)OCc1ccccc1)P(=O)(OCOC(=O)C(CC)CC)OCOC(=O)C(CC)CC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TGM2 P21980 1/20 0.41
FOLH1 Q04609 1/20 0.40
KEAP1 Q14145 2/20 0.40
NFE2L2 Q16236 2/20 0.40
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A1 P43005 1/20 0.39

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
SCHEMBL9500044 0.99 HSD17B10 (0.43) HSD17B10HTTLMNASMN1; SMN2TGM2
SCHEMBL9190225 0.94 HTT (0.45) HSD17B10HTTLMNASMN1; SMN2TGM2
SCHEMBL9192963 0.91 HTT (0.46) HSD17B10HTTLMNASMN1; SMN2TGM2
SCHEMBL9189651 0.87 HTT (0.46) HSD17B10HTTLMNASMN1; SMN2TGM2
SCHEMBL9193163 0.86 HTT (0.43) HSD17B10HTTLMNASMN1; SMN2TGM2
SCHEMBL9190696 0.86 HTT (0.46) HTTLMNASMN1; SMN2TGM2FOLH1
SCHEMBL7670412 0.84 HTT (0.53) HTTLMNASMN1; SMN2TGM2FOLH1
SCHEMBL9500031 0.83 HTT (0.43) HSD17B10HTTLMNASMN1; SMN2TGM2
SCHEMBL9187814 0.83 FDPS (0.35) HSD17B10TGM2
SCHEMBL8055648 0.82 HTT (0.53) HSD17B10HTTLMNASMN1; SMN2TGM2

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-0416689-B1 Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors MERCK & CO INC (US) 1995-11-29 EP disclosed
US-5227506-A Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors MERCK & CO., INC. (US) 1993-07-13 US disclosed
EP-0416689-A2 Acyloxymethyl esters of bisphosphonic acids as bone resorption inhibitors MERCK & CO. INC. (US) 1991-03-13 EP disclosed