SCHEMBL6553616

SCHEMBL6553616

CC(C)(C=O)CCCCCCCCCCCCCCC1CCCC1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31
OPRK1 P41145 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL6553522 0.95 NPC1 (0.39) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL29114737 0.76 CYP1A2 (0.47) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL27762281 0.76 CYP1A2 (0.47) NPC1RAB9ASMN1; SMN2LMNAGAA
Nonane SCHEMBL17844420 0.76 CYP1A2 (0.47) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL486901 0.76 CYP1A2 (0.47) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL6897307 0.76 CYP1A2 (0.47) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL8024040 0.76 CYP1A2 (0.47) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL715196 0.76 CYP1A2 (0.47) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL27960807 0.76 CYP1A2 (0.47) NPC1RAB9ASMN1; SMN2LMNAGAA
SCHEMBL115579 0.76 CYP1A2 (0.47) NPC1RAB9ASMN1; SMN2LMNAGAA

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