SCHEMBL8564978

SCHEMBL8564978

CC(C)(C)c1ccc(Sc2c[c]ccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.36
DHFR P00374 3/20 0.35
HTR1A P08908 1/20 0.35
HTR3A P46098 1/20 0.35
MLYCD O95822 1/20 0.35
TSHR P16473 1/20 0.34
ALDH1A1 P00352 3/20 0.34
P4HB P07237 1/20 0.34
KIF11 P52732 2/20 0.33
LMNA P02545 1/20 0.33
TYR P14679 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL8155628 0.80 MAOA (0.34) MAPTMAOAMAOBSMN1; SMN2
SCHEMBL4795784 0.79 MLYCD (0.42) HTR1AHTR3AMLYCDALDH1A1LMNA
SCHEMBL8560676 0.79 TSHR (0.41) PTGIRDHFRHTR1AHTR3AMLYCD
SCHEMBL919863 0.78 MAOA (0.45) ALDH1A1MAPTMAOAMAOBSMN1; SMN2
SCHEMBL2754910 0.78 ALDH1A1 (0.47) PTGIRDHFRHTR1AHTR3AMLYCD
SCHEMBL2271509 0.78 TSHR (0.52) PTGIRDHFRHTR1AHTR3AMLYCD
SCHEMBL9686247 0.76 MAOA (0.35) DHFRHTR1AHTR3ATSHRALDH1A1
SCHEMBL27316073 0.76 MAOA (0.47) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL6553951 0.75 PTGIR (0.45) PTGIRDHFRHTR1AHTR3AMAPT
SCHEMBL14802761 0.73 KIF11 (0.52) PTGIRDHFRHTR1AHTR3ATSHR

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-5814646-A TREATING THE PROGRESSION OF ALZHEIMER'S DISEASE, BRAIN DISORDERS ELI LILLY AND COMPANY (US) 1998-09-29 US disclosed