SCHEMBL2935907

SCHEMBL2935907

CCCOC(=O)C1CCOC(C)(C)O1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.41
PTPN1 P18031 1/20 0.41
PPP1CC P36873 1/20 0.41
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL27654149 0.91 ALDH1A1 (0.41) PPM1BPTPN1PPP1CCALDH1A1HPGD
SCHEMBL15345969 0.78 MMP2 (0.34) PPM1BPTPN1PPP1CC
SCHEMBL2934643 0.78 MMP2 (0.34) PPM1BPTPN1PPP1CC
SCHEMBL29239191 0.74 MAPK1 (0.32) NPC1RAB9ASMN1; SMN2
SCHEMBL28439815 0.72 PPM1B (0.54) PPM1BPTPN1PPP1CCNPC1ALDH1A1
SCHEMBL10857235 0.72 MAPK1 (0.34) NPC1RAB9ASMN1; SMN2
SCHEMBL10857230 0.72 MAPK1 (0.34) NPC1RAB9ASMN1; SMN2
SCHEMBL17361182 0.70 ALDH1A1 (0.52) PPM1BPTPN1PPP1CCNPC1ALDH1A1
SCHEMBL17904756 0.70 LMNA (0.40) PPM1BPTPN1PPP1CCALDH1A1HSD17B10
SCHEMBL13085057 0.70 LMNA (0.40) PPM1BPTPN1PPP1CCALDH1A1HSD17B10

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-2230312-A1 Probe compound for detecting and isolating enzymes and means and methods using the same Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2010-09-22 EP disclosed