SCHEMBL16952933

SCHEMBL16952933

CCOc1c(C#N)cccc1[C](C)CO

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.34
ALDH1A1 P00352 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HSD17B10 Q99714 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
NAMPT P43490 1/20 0.33
HTT P42858 1/20 0.33
NOTUM Q6P988 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 2/20 0.32
NLRP3 Q96P20 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL16957212 0.87 ALDH1A1 (0.36) GAAALDH1A1L3MBTL1HSD17B10LMNA
SCHEMBL16952009 0.86 ALDH1A1 (0.36) GAAALDH1A1L3MBTL1HSD17B10LMNA
SCHEMBL16961024 0.85 KDM4E (0.32) GAAALDH1A1LMNAKDM4ENPC1
SCHEMBL16956151 0.84 NPC1 (0.40) GAAALDH1A1LMNAKDM4ENAMPT
SCHEMBL15388910 0.80 TSHR (0.41) GAAALDH1A1L3MBTL1HSD17B10LMNA
SCHEMBL16959178 0.79 ALDH1A1 (0.33) GAAALDH1A1L3MBTL1HSD17B10LMNA
SCHEMBL16957250 0.78 KDM4E (0.41) GAAALDH1A1L3MBTL1HSD17B10LMNA
SCHEMBL16951080 0.78 HCRTR1 (0.41) GAAALDH1A1L3MBTL1HSD17B10LMNA
SCHEMBL16956644 0.78 KDM4E (0.40) GAAALDH1A1L3MBTL1HSD17B10LMNA
SCHEMBL16955064 0.77 TSHR (0.41) GAAALDH1A1L3MBTL1KDM4ENOTUM

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-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed