SCHEMBL28375327

SCHEMBL28375327

CCOC(=O)CC(N)c1cccc(-c2ccccc2C)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSA P10619 5/20 0.47
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41
F10 P00742 2/20 0.41
HTR7 P34969 1/20 0.41
GAA P10253 1/20 0.41
PTPN1 P18031 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
F2 P00734 2/20 0.39
PRSS1 P07477 1/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
CASR P41180 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL30671408 1.00 CTSA (0.47) CTSAALDH1A1MAPTHTTHSD17B10
SCHEMBL28369512 0.91 CTSA (0.47) CTSAALDH1A1MAPTHTTHSD17B10
SCHEMBL30541524 0.91 CTSA (0.47) CTSAALDH1A1MAPTHTTHSD17B10
SCHEMBL30541382 0.89 F10 (0.43) CTSAALDH1A1MAPTF10PTPN1
SCHEMBL28372569 0.89 F10 (0.43) CTSAALDH1A1MAPTF10PTPN1
SCHEMBL21459533 0.89 CTSA (0.47) CTSAHTR7SLC1A3SLC1A2SLC1A1
SCHEMBL21459532 0.89 CTSA (0.47) CTSAHTR7SLC1A3SLC1A2SLC1A1
SCHEMBL31303224 0.88 FFAR1 (0.42) ALDH1A1MAPTHTTHSD17B10F10
SCHEMBL21480517 0.88 FFAR1 (0.42) ALDH1A1MAPTHTTHSD17B10F10
SCHEMBL28369194 0.88 FFAR1 (0.42) ALDH1A1MAPTHTTHSD17B10F10

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-110914242-A Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2020-03-24 CN disclosed