SCHEMBL28038600

SCHEMBL28038600

C[C@H](O)c1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 6/20 0.43
HIF1A Q16665 2/20 0.43
HTT P42858 2/20 0.43
UGT2B7 P16662 1/20 0.43
GAA P10253 1/20 0.43
ALOX12 P18054 1/20 0.43
CYP3A4 P08684 3/20 0.41
ALOX15 P16050 2/20 0.41
ACHE P22303 1/20 0.41
CA3 P07451 1/20 0.41
THRB P10828 1/20 0.41
CA6 P23280 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL56667 1.00 NOS3 (0.50) NOS3NOS1MEN1MAPTKMT2A
SCHEMBL12122146 1.00 NOS3 (0.50) NOS3NOS1MEN1MAPTKMT2A
SCHEMBL6488472 0.93 ALDH1A1 (0.52) NOS3NOS1MEN1MAPTKMT2A
SCHEMBL9331190 0.85 NOS3 (0.54) NOS3NOS1MEN1MAPTKMT2A
SCHEMBL40655 0.85 NOS3 (0.54) NOS3NOS1MEN1MAPTKMT2A
SCHEMBL9331652 0.85 NOS3 (0.54) NOS3NOS1MEN1MAPTKMT2A
SCHEMBL9331061 0.85 NOS3 (0.54) NOS3NOS1MEN1MAPTKMT2A
SCHEMBL114216 0.82 UGT2B7 (0.52) NOS3NOS1ALDH1A1HIF1AHTT
SCHEMBL5955 0.79 MAPT (0.53) NOS3NOS1MEN1MAPTKMT2A
SCHEMBL18388220 0.79 KDM4E (0.43) MEN1MAPTKMT2AALDH1A1HIF1A

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-105177070-A Method for yeast production of (S)-aminophenyl ethanol UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-12-23 CN claimed
CN-105177070-A Method for yeast production of (S)-aminophenyl ethanol UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-12-23 CN disclosed
CN-105177070-A Method for yeast production of (S)-aminophenyl ethanol UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-12-23 CN disclosed