SCHEMBL28372741

SCHEMBL28372741

CCOC(=O)CC(N)c1cccc(-c2cccc(OC)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ CTSA P10619 2/20 0.47
▸ FFAR1 O14842 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ HSD17B1 P14061 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HSD17B2 P37059 1/20 0.42
▸ HDAC4 P56524 1/20 0.42

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
SCHEMBL30541418 1.00 L3MBTL1 (0.47) L3MBTL1CTSAFFAR1ALDH1A1KDM4E
SCHEMBL30541394 0.93 L3MBTL1 (0.45) L3MBTL1CTSAFFAR1ALDH1A1KDM4E
SCHEMBL29219883 0.93 L3MBTL1 (0.45) L3MBTL1CTSAFFAR1ALDH1A1KDM4E
SCHEMBL13724830 0.92 L3MBTL1 (0.55) L3MBTL1ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL30541330 0.91 HPGD (0.46) L3MBTL1FFAR1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL28368868 0.91 HPGD (0.46) L3MBTL1FFAR1ALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL7189616 0.91 L3MBTL1 (0.53) L3MBTL1ALDH1A1SMN1; SMN2TSHRMAPK1
SCHEMBL28368567 0.91 FFAR1 (0.42) L3MBTL1CTSAFFAR1ALDH1A1KDM4E
SCHEMBL30541343 0.91 FFAR1 (0.42) L3MBTL1CTSAFFAR1ALDH1A1KDM4E
SCHEMBL30541509 0.89 CTSA (0.42) L3MBTL1CTSAFFAR1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110914242-B Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2023-07-25 — — CN disclosed
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
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