SCHEMBL16961024

SCHEMBL16961024

C#Cc1cccc([C](C)CO)c1OCC

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 2/20 0.30
RAB9A P51151 2/20 0.30
KMT2A Q03164 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
ALDH1A1 P00352 1/20 0.30
ABL1 P00519 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RIN1 Q13671 1/20 0.30
NPC1 O15118 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
SCHEMBL16950938 0.87 MRGPRX4 (0.33) KDM4EKMT2AALDH1A1LMNANPC1
SCHEMBL16958806 0.86 KDM4E (0.34) KDM4EMEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL16952933 0.85 GAA (0.34) KDM4ERAB9AALDH1A1LMNAGAA
SCHEMBL16952554 0.84 NPC1 (0.31) RAB9ASMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL16961191 0.80 L3MBTL1 (0.42) KDM4EMEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL16953881 0.79 MEN1 (0.32) KDM4EMEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL16951080 0.78 HCRTR1 (0.41) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL16957250 0.78 KDM4E (0.41) KDM4EMEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL16956644 0.78 KDM4E (0.40) KDM4ERAB9AALDH1A1LMNAGAA
SCHEMBL16955663 0.77

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