SCHEMBL20170449

SCHEMBL20170449

CCOCCOCCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
IDO1 P14902 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HRH3 Q9Y5N1 5/20 0.51
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46
CHRM2 P08172 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
CHRM1 P11229 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL90733 0.96 RAB9A (0.58) RAB9ASMN1; SMN2IDO1MEN1KMT2A
SCHEMBL14030598 0.90 RAB9A (0.57) RAB9ASMN1; SMN2IDO1MEN1KMT2A
SCHEMBL13500026 0.88 HRH3 (0.54) IDO1MEN1KMT2AHRH3TDP1
SCHEMBL23014825 0.88 L3MBTL1 (0.58) RAB9ASMN1; SMN2IDO1TDP1L3MBTL1
SCHEMBL12040626 0.88 L3MBTL1 (0.58) RAB9ASMN1; SMN2IDO1TDP1L3MBTL1
SCHEMBL28037453 0.88 L3MBTL1 (0.58) RAB9ASMN1; SMN2IDO1TDP1L3MBTL1
SCHEMBL22281733 0.88 L3MBTL1 (0.58) RAB9ASMN1; SMN2IDO1TDP1L3MBTL1
SCHEMBL755823 0.88 RAB9A (0.50) RAB9ASMN1; SMN2IDO1MEN1KMT2A
SCHEMBL196951 0.87 IDO1 (0.67) IDO1MEN1KMT2AHRH3TDP1
SCHEMBL4871162 0.86 IDO1 (0.55) IDO1MEN1KMT2AHRH3TDP1

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-2723394-B1 FORMULATIONS OF FLUORINATED STILBENE SUITABLE FOR PET IMAGING PIRAMAL IMAGING SA (CH) 2018-05-23 EP disclosed