SCHEMBL29113404

SCHEMBL29113404

CCOC(=O)CC(c1cccc(Cc2ccccc2CC)c1)N(Cc1ccccc1)[C@H](C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.43
F2 P00734 3/20 0.39
TP53 P04637 3/20 0.38
PRSS1 P07477 1/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 2/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
ALOX5 P09917 1/20 0.33
NLRP3 Q96P20 1/20 0.33

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
SCHEMBL31109312 0.94 F10 (0.43) F10F2TP53PRSS1ALDH1A1
SCHEMBL20857397 0.92 F10 (0.44) F10F2TP53PRSS1ALDH1A1
SCHEMBL29113408 0.91 ALDH1A1 (0.45) F10F2TP53PRSS1ALDH1A1
SCHEMBL31109317 0.91 F10 (0.42) F10F2TP53PRSS1ALDH1A1
SCHEMBL31109233 0.89 EPHX2 (0.41) F10ALDH1A1
SCHEMBL20547037 0.89 L3MBTL1 (0.34) ALDH1A1L3MBTL1SMN1; SMN2MEN1KMT2A
SCHEMBL29113417 0.88 F10 (0.39) F10F2TP53PRSS1ALDH1A1
SCHEMBL31109299 0.88 F10 (0.41) F10F2TP53PRSS1ALDH1A1
SCHEMBL30671414 0.86 F10 (0.42) F10F2TP53PRSS1ALDH1A1
SCHEMBL13143762 0.85 F10 (0.44) F10F2TP53PRSS1ALDH1A1

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