SCHEMBL28290543

SCHEMBL28290543

Cc1ccc(Nc2ccccc2CCO)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
GAA P10253 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
HPGD P15428 2/20 0.47
L3MBTL1 Q9Y468 3/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
KDM4E B2RXH2 1/20 0.43
APAF1 O14727 1/20 0.43
TDP2 O95551 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
PTGS2 P35354 1/20 0.41
PGK1 P00558 1/20 0.39
TRPV1 Q8NER1 1/20 0.39

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
SCHEMBL28549525 0.85 FABP4 (0.47) MAPTGAATDP1NPC1RAB9A
SCHEMBL29110685 0.83 MAPT (0.55) MAPTGAATDP1NPC1RAB9A
SCHEMBL31310616 0.83 MAPKAPK2 (0.48) MAPTGAATDP1NPC1RAB9A
SCHEMBL5786086 0.83 PTGS2 (0.41) MAPTTDP1NPC1RAB9AL3MBTL1
SCHEMBL31310568 0.82 POLB (0.41) MAPTNPC1RAB9AHPGDKDM4E
SCHEMBL28291933 0.82 NPSR1 (0.51) MAPTGAANPC1RAB9AHPGD
SCHEMBL11636131 0.81 MAPT (0.50) MAPTGAATDP1NPC1RAB9A
SCHEMBL1713014 0.81 MAPT (0.72) MAPTGAATDP1NPC1RAB9A
SCHEMBL30146895 0.80 NPC1 (0.59) MAPTGAATDP1NPC1RAB9A
SCHEMBL887264 0.80 NPC1 (0.59) MAPTGAATDP1NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119118850-A Method for preparing amino phenethyl alcohol compound by reforming indole compound structure 中国科学院兰州化学物理研究所 2024-12-13 CN disclosed
CN-109706194-B Method for synthesizing phenethyl alcohol beta-amino alcohol derivatives on line based on mobile chemical enzymatic ammonolysis reaction 浙江工业大学 2021-04-06 CN disclosed
CN-109706194-A A method of phenylethanol beta-alkamine derivative is synthesized online based on chemical enzymatic aminolysis reaction is flowed 浙江工业大学 2019-05-03 CN disclosed