SCHEMBL6687730

SCHEMBL6687730

COc1ccc(CCNc2ccc(OC)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.86
GAA P10253 4/20 0.73
ALDH1A1 P00352 3/20 0.58
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
FFAR1 O14842 1/20 0.55
FPR2 P25090 1/20 0.55
HTT P42858 2/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA5A P35218 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL6681204 0.93 MAPT (1.00) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL22894160 0.93 MAPT (1.00) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL3911045 0.91 MAPT (0.73) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL6226359 0.91 MAPT (0.73) MAPTGAAALDH1A1NPC1RAB9A
SCHEMBL1581519 0.88 MAPT (0.69) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL12720531 0.88 MAPT (0.69) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL31176219 0.88 MAPT (0.69) MAPTGAANPC1RAB9AMEN1
SCHEMBL10749962 0.88 MAPT (0.69) MAPTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL7223359 0.88 MAPT (0.69) MAPTGAAALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL3259778 0.86 MAPT (0.67) MAPTGAAALDH1A1LMNASMN1; 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
WO-2004058982-A2 ASYMMETRIC REDUCTIVE AMINATION OF KETONES PENN STATE RESEARCH FOUNDATION (US) 2004-07-15 WO disclosed