SCHEMBL28675862

SCHEMBL28675862

CCCCCc1cc(-c2ccccc2)no1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.58
DRD2 P14416 9/20 0.56
DRD4 P21917 9/20 0.56
DRD3 P35462 9/20 0.56
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
POLB P06746 1/20 0.50
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49

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
SCHEMBL28659027 0.98 NOTUM (0.57) NOTUMDRD2DRD4DRD3NPC1
SCHEMBL28680089 0.95 NOTUM (0.60) NOTUMDRD2DRD4DRD3NPC1
SCHEMBL4120542 0.88 NOTUM (0.64) NOTUMDRD2DRD4DRD3NPC1
SCHEMBL18031148 0.84 MAPT (0.50) NOTUMDRD2DRD4DRD3NPC1
SCHEMBL4868141 0.84 NOTUM (0.68) NOTUMDRD2DRD4DRD3NPC1
SCHEMBL837204 0.84 NOTUM (0.68) NOTUMDRD2DRD4DRD3NPC1
SCHEMBL18031158 0.83 MAPT (0.52) NOTUMDRD2DRD4DRD3NPC1
SCHEMBL13247845 0.82 NOTUM (0.70) NOTUMDRD2DRD4DRD3NPC1
SCHEMBL2352783 0.82 RARB (0.56) NPC1RAB9ASMN1; SMN2
SCHEMBL805128 0.81 NOTUM (0.68) NOTUMNPC1RAB9ASMN1; SMN2L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113582937-B Green preparation method of isoxazole compound participated in by water-soluble vitamin E 浙江工业大学 2023-05-23 CN disclosed
CN-113582937-A Green preparation method of water-soluble vitamin E-involved isoxazole compound 浙江工业大学 2021-11-02 CN disclosed