SCHEMBL28996459

SCHEMBL28996459

CCCCCCCCCCCCCC(CCOC(=O)CC)c1ccc(OC(NC(C)C)C(C)O)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NAAA Q02083 1/20 0.37
▸ SLC2A1 P11166 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ MMP9 P14780 3/20 0.35
▸ MMP13 P45452 3/20 0.35
▸ MMP1 P03956 2/20 0.35
▸ ADAM17 P78536 2/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MMP8 P22894 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
Propionic Acid SCHEMBL28996320 0.84 GPR88 (0.37) SMN1; SMN2POLBMMP9MMP13MMP1
SCHEMBL28996457 0.78 ADRB2 (0.47) LMNA
SCHEMBL28996325 0.76 P2RY10 (0.48) —
Hydrochloric Acid SCHEMBL10878734 0.70 SMN1; SMN2 (0.54) SMN1; SMN2NPC1HPGDRAB9ALMNA
SCHEMBL27886819 0.69 LTA4H (0.44) SMN1; SMN2NAAAHTTNPC1RAB9A
SCHEMBL28034758 0.69 NAAA (0.54) SMN1; SMN2MAPK1NAAAHTTPOLB
SCHEMBL30327229 0.68 NAAA (0.42) NAAA
SCHEMBL9628819 0.67 PTGS2 (0.44) LMNA
SCHEMBL11570658 0.67 NR1I2 (0.42) SMN1; SMN2SLC2A1MMP9MMP13NPC1
SCHEMBL11569703 0.67 NR1I2 (0.42) SMN1; SMN2SLC2A1MMP9MMP13NPC1

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-116036305-B Nanometer medicine and its prepn and application 广州国家实验室 2023-09-15 — — CN disclosed
CN-116036305-A Nanometer medicine and its prepn and application 广州国家实验室 2023-05-02 — — CN disclosed
Send feedback