SCHEMBL13729438

SCHEMBL13729438

CC(C)(NP(=O)(CCCNC(=O)OCc1ccccc1)Oc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.50
▸ PRTN3 P24158 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ELANE P08246 2/20 0.46
▸ TGM2 P21980 1/20 0.46
▸ KEAP1 Q14145 2/20 0.45
▸ NFE2L2 Q16236 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KLK1 P06870 1/20 0.42

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
SCHEMBL13725383 0.81 ELANE (0.51) HTTPRTN3SMN1; SMN2LMNAELANE
SCHEMBL14002292 0.81 HTT (0.60) HTTPRTN3SMN1; SMN2LMNAELANE
SCHEMBL4586916 0.81 HTT (0.60) HTTPRTN3SMN1; SMN2LMNAELANE
SCHEMBL13729442 0.80 BTN3A1 (0.55) HTTPRTN3SMN1; SMN2LMNAELANE
SCHEMBL13729445 0.79 PRTN3 (0.49) HTTPRTN3SMN1; SMN2LMNAELANE
SCHEMBL14269142 0.78 BTN3A1 (0.56) HTTPRTN3ELANEL3MBTL1MAPT
SCHEMBL14002286 0.76 PRTN3 (0.49) HTTPRTN3SMN1; SMN2LMNAELANE
SCHEMBL26962307 0.75 HTT (0.63) HTTSMN1; SMN2LMNATGM2KEAP1
SCHEMBL13538361 0.75 LMNA (0.58) HTTPRTN3SMN1; SMN2LMNAELANE
SCHEMBL3362572 0.75 HTT (0.67) HTTSMN1; SMN2LMNATGM2KEAP1

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
WO-2012150866-A1 PHOSPHORIBOSYLTRANSFERASE INHIBITORS AND USES THEREOF INDUSTRIAL RESEARCH LIMITED (NZ) 2012-11-08 — — WO disclosed
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