SCHEMBL28472018

SCHEMBL28472018

COC1(CC(=O)O)C=Nc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
ITGA4 P13612 1/20 0.34
AKR1B1 P15121 1/20 0.33
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
APEX1 P27695 1/20 0.32
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
AKT1 P31749 1/20 0.30
LMNA P02545 1/20 0.30
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
TSHR P16473 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL2490028 0.74 AKR1B1 (0.39) ALDH1A1MAPTAKR1B1SMN1; SMN2APEX1
SCHEMBL5668472 0.73 ALDH1A1 (0.38) ALDH1A1MAPTAKR1B1APEX1PKM
SCHEMBL20362157 0.71 APEX1 (0.33) ALDH1A1AKR1B1APEX1PKMKMT2A
SCHEMBL29051906 0.70 APEX1 (0.35) ALDH1A1AKR1B1APEX1PKMKMT2A
SCHEMBL8599400 0.69 KIF11 (0.32) AKR1B1
SCHEMBL3807640 0.69 HTT (0.34) HTTALDH1A1MAPTITGA4AKR1B1
SCHEMBL28486941 0.67 IDO1 (0.37) ALDH1A1MAPTAKR1B1POLBSMN1; SMN2
SCHEMBL28679428 0.67 MAPT (0.38) HTTALDH1A1MAPTITGA4POLB
SCHEMBL4625185 0.67 MAPT (0.34) ALDH1A1MAPTITGA4SMN1; SMN2PKM
SCHEMBL28301722 0.66 THRB (0.39) ALDH1A1APEX1LMNAALOX15L3MBTL1

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
CN-111380979-A Healthy aged diagnosis marker and application 中国科学院昆明动物研究所 2020-07-07 CN disclosed