SCHEMBL6553522

SCHEMBL6553522

CC(C)(C=O)CCCCCCCCCCCCCCC1CCCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CA1 P00915 5/20 0.37
CA2 P00918 5/20 0.37
CA4 P22748 5/20 0.37
CA6 P23280 4/20 0.37
LMNA P02545 1/20 0.34
KMT2A Q03164 2/20 0.33
PTGS1 P23219 2/20 0.30
PTGS2 P35354 2/20 0.30
OPRK1 P41145 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL6553616 0.95 NPC1 (0.38) NPC1RAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL11058566 0.80 KDM4E (0.50) NPC1RAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL25190402 0.77 NPC1 (0.47) NPC1RAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL4324112 0.77 NPC1 (0.47) NPC1RAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL31632730 0.77 NPC1 (0.47) NPC1RAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL13725781 0.77 NPC1 (0.47) NPC1RAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL4441775 0.77 NPC1 (0.47) NPC1RAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL9158941 0.77 NPC1 (0.47) NPC1RAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL486850 0.77 NPC1 (0.47) NPC1RAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL6659776 0.77 NPC1 (0.47) NPC1RAB9AGAASMN1; SMN2ALDH1A1

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-1070079-B1 METHOD FOR THE PRODUCTION OF PENTOPYRANOSYL NUCLEOSIDES NANOGEN RECOGNOMICS GMBH (DE) 2004-02-18 EP claimed