SCHEMBL29001041

SCHEMBL29001041

O=CCC(=O)c1ncc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 1/20 0.41
TBXAS1 P24557 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 1/20 0.33
FDPS P14324 1/20 0.33
CTSZ Q9UBR2 1/20 0.32
GLA P06280 1/20 0.31
BRAF P15056 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL7110299 0.82 NPC1 (0.42) NPC1RAB9AKMT2ATBXAS1SMN1; SMN2
SCHEMBL29163121 0.81 NPC1 (0.47) NPC1RAB9AKMT2ATBXAS1SMN1; SMN2
SCHEMBL8782516 0.79 NPC1 (0.40) NPC1RAB9AKMT2ATBXAS1SMN1; SMN2
SCHEMBL2321138 0.79
SCHEMBL28326469 0.79
SCHEMBL10997776 0.78 TBXAS1 (0.49) NPC1RAB9AKMT2ATBXAS1SMN1; SMN2
SCHEMBL6400325 0.78
SCHEMBL8736180 0.78 TBXAS1 (0.47) NPC1RAB9AKMT2ATBXAS1SMN1; SMN2
SCHEMBL8223825 0.78
SCHEMBL1261544 0.78

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-109666163-B Hybrid crosslinked dynamic polymer and application thereof 厦门逍扬运动科技有限公司 2023-05-12 CN disclosed