SCHEMBL567609

SCHEMBL567609

CC(CCC1OC(=O)COC1=O)NC(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.47
CASP3 P42574 2/20 0.47
CASP7 P55210 2/20 0.47
CASP6 P55212 2/20 0.47
CASP8 Q14790 2/20 0.47
CTSK P43235 6/20 0.46
CTSS P25774 3/20 0.46
CTSL P07711 2/20 0.46
ATM Q13315 1/20 0.45
CYP3A4 P08684 4/20 0.43
CYP2C9 P11712 4/20 0.43
TSHR P16473 4/20 0.43
CYP2C19 P33261 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NAAA Q02083 2/20 0.43
CYP1A2 P05177 2/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL3976931 0.81 ALDH1A1 (0.37) CASP1CASP3CASP7CASP6CASP8
SCHEMBL567366 0.79 HTT (0.51) LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL567608 0.79 HTT (0.51) LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL567494 0.78 ALDH1A1 (0.43) ALDH1A1LMNAKMT2AMAPK1
SCHEMBL567327 0.75 GLA (0.47) CASP1CASP3CASP7CASP6CASP8
SCHEMBL536617 0.75 GLA (0.47) CASP1CASP3CASP7CASP6CASP8
SCHEMBL9293963 0.73 CTSK (0.47) CTSKATMCYP3A4CYP2C9TSHR
SCHEMBL938011 0.73 ATM (0.57) CTSKCTSSCTSLATMCTSB
SCHEMBL19569920 0.73 POLB (0.61) CTSKCTSSCTSLATMALDH1A1
SCHEMBL15414625 0.73 ATM (0.57) CTSKCTSSCTSLATMCTSB

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
US-20120035341-A1 PROCEDE DE POLYMERISATION PAR VOIE CATALYTIQUE DE 1,4-DIOXANES-2,5-DIONES ET LES POLYMERES CORRESPONDANTS MINASOLVE (FR) 2012-02-09 US disclosed