SCHEMBL8917680

SCHEMBL8917680

CCOC(Br)CC1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
PDE8B O95263 1/20 0.31
ALDH1A1 P00352 2/20 0.31
PDK1 Q15118 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL28037271 0.82 LMNA (0.33) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL10379970 0.73 USP2 (0.35) KMT2AMEN1PDE8BALDH1A1KDM4E
SCHEMBL18833108 0.72 NOS1 (0.36) KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL7639692 0.72 USP2 (0.37) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL12089502 0.71 PDE8B (0.36) KMT2AMEN1PDE8BALDH1A1KDM4E
SCHEMBL8860611 0.71 PDE8B (0.36) KMT2AMEN1PDE8BALDH1A1KDM4E
SCHEMBL12090067 0.71 PDE8B (0.36) KMT2AMEN1PDE8BALDH1A1KDM4E
SCHEMBL18595249 0.71 HTT (0.35) KMT2AMEN1PDE8BHPGDSMN1; SMN2
SCHEMBL797696 0.70 PDE8B (0.35) KMT2AMEN1PDE8BALDH1A1KDM4E
SCHEMBL13502926 0.69 ANPEP (0.34) PDE8BHPGDSMN1; SMN2

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
US-5618938-A Process for preparing stereo isomers of neurokinin receptor antagonists SANOFI (FR) 1997-04-08 US disclosed