SCHEMBL29113408

SCHEMBL29113408

CCOC(=O)CC(c1cccc(Cc2ccccc2F)c1)N(Cc1ccccc1)[C@H](C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
F10 P00742 3/20 0.41
PTPN1 P18031 1/20 0.39
KDM4E B2RXH2 1/20 0.38
F2 P00734 3/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
GAA P10253 1/20 0.36
PRSS1 P07477 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GNRHR P30968 2/20 0.35
TSHR P16473 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL29113404 0.91 F10 (0.43) ALDH1A1F10F2LMNAPOLB
SCHEMBL31109312 0.91 F10 (0.43) ALDH1A1F10F2LMNAPOLB
SCHEMBL20857397 0.89 F10 (0.44) ALDH1A1F10F2LMNAPOLB
SCHEMBL20546063 0.88 PTPN1 (0.42) ALDH1A1PTPN1KDM4ELMNAPOLB
SCHEMBL31109233 0.88 EPHX2 (0.41) ALDH1A1F10KDM4E
SCHEMBL29113417 0.87 F10 (0.39) ALDH1A1F10F2LMNAPOLB
SCHEMBL31109317 0.86 F10 (0.42) ALDH1A1F10F2LMNAPOLB
SCHEMBL30671333 0.86 F10 (0.40) ALDH1A1F10F2LMNAPOLB
SCHEMBL31109299 0.85 F10 (0.41) ALDH1A1F10F2LMNAPOLB
SCHEMBL13143762 0.85 F10 (0.44) ALDH1A1F10F2LMNAPOLB

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-110914241-B Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2023-11-14 CN disclosed