SCHEMBL9201360

SCHEMBL9201360

C/C(CC(=O)O)=N/c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 5/20 0.50
NOS3 P29474 4/20 0.50
CRHR1 P34998 4/20 0.47
ALDH1A1 P00352 1/20 0.45
MAPT P10636 4/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RECQL P46063 1/20 0.43
HPGD P15428 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
SLC22A3 O75751 1/20 0.41
HTR3B O95264 1/20 0.41
PLAU P00749 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
HSD17B10 Q99714 2/20 0.41

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
SCHEMBL3924632 1.00 NOS1 (0.50) NOS1NOS3CRHR1ALDH1A1MAPT
SCHEMBL3924629 1.00 NOS1 (0.50) NOS1NOS3CRHR1ALDH1A1MAPT
SCHEMBL347754 0.88 NOS1 (0.50) NOS1NOS3CRHR1ALDH1A1MAPT
SCHEMBL347753 0.88 NOS1 (0.50) NOS1NOS3CRHR1ALDH1A1MAPT
SCHEMBL5680219 0.88 NOS1 (0.50) NOS1NOS3CRHR1ALDH1A1MAPT
SCHEMBL18544063 0.87 NOS1 (0.58) NOS1NOS3CRHR1ALDH1A1MAPT
SCHEMBL16627963 0.87 NOS1 (0.58) NOS1NOS3CRHR1ALDH1A1MAPT
SCHEMBL18543896 0.87 NOS1 (0.58) NOS1NOS3CRHR1ALDH1A1MAPT
SCHEMBL17489129 0.83 RECQL (0.43) NOS1NOS3CRHR1ALDH1A1MAPT
SCHEMBL10811169 0.82 KMT2A (0.57) NOS1NOS3CRHR1ALDH1A1MAPT

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-0503634-B1 Novel terpene derivatives and process for preparing the same EISAI CO LTD (JP) 1995-12-27 EP claimed