SCHEMBL7980703

SCHEMBL7980703

CC(C)Oc1ccccc1CNN

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
MAPT P10636 2/20 0.62
GAA P10253 1/20 0.62
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TACR1 P25103 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.43
P2RX7 Q99572 1/20 0.41
ACHE P22303 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40
HPGD P15428 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL22957875 0.83 TAS1R3 (0.46) ALDH1A1MAPTGAATAS1R3TAS1R1
SCHEMBL417252 0.83 SLC6A4 (0.51) ALDH1A1MAPTGAATAS1R3TAS1R1
SCHEMBL12000676 0.81 TACR1 (0.48) ALDH1A1MAPTGAATAS1R3TAS1R1
SCHEMBL6449473 0.80 POLB (0.44) ALDH1A1MAPTGAATAS1R3TAS1R1
SCHEMBL21600828 0.79 ATM (0.45) ALDH1A1MAPTGAATAS1R3TAS1R1
SCHEMBL22957772 0.79 HTT (0.51) ALDH1A1MAPTGAATAS1R3TAS1R1
SCHEMBL5067489 0.79 ALDH1A1 (0.96) ALDH1A1MAPTGAAACHETSHR
SCHEMBL855754 0.79 IRAK4 (0.47) ALDH1A1TAS1R3TAS1R1TACR1IRAK4
SCHEMBL29786441 0.79 IRAK4 (0.47) ALDH1A1TAS1R3TAS1R1TACR1IRAK4
SCHEMBL5547142 0.77 TAS1R3 (0.45) ALDH1A1MAPTTAS1R3TAS1R1TACR1

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-6255318-B1 CYTOMEGLO VIRUS BIOCHEM PHARMA INC. (CA) 2001-07-03 US claimed