SCHEMBL16958749

SCHEMBL16958749

COCCOc1cccc([CH]O)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.44
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
AGTR1 P30556 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
CYP1A1 P04798 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP1B1 Q16678 2/20 0.38
PRMT1 Q99873 1/20 0.38
CYP19A1 P11511 1/20 0.38
SRC P12931 1/20 0.38
HTR2A P28223 1/20 0.38
GRM2 Q14416 1/20 0.38

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
SCHEMBL16956484 0.88 GSK3A (0.40) HPGDSMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL16951226 0.87 NFE2L2 (0.44) NFE2L2HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL16956513 0.85 ALDH1A1 (0.42) NFE2L2HPGDSMN1; SMN2ALDH1A1HTT
SCHEMBL16951406 0.84 NFE2L2 (0.41) NFE2L2HPGDSMN1; SMN2ALDH1A1HTT
SCHEMBL8377299 0.84 ALDH1A1 (0.58) NFE2L2HPGDSMN1; SMN2ALDH1A1HTT
SCHEMBL16959860 0.83 NPC1 (0.52) NFE2L2HPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL6632658 0.81 NFE2L2 (0.61) NFE2L2HPGDKDM4ELMNACYP1A1
SCHEMBL16958641 0.81 ALDH1A1 (0.41) NFE2L2HPGDSMN1; SMN2ALDH1A1HTT
SCHEMBL16954534 0.81 HPGD (0.41) HPGDSMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL16957272 0.81 ALDH1A1 (0.41) HPGDSMN1; SMN2ALDH1A1HTTKDM4E

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