SCHEMBL29324951

SCHEMBL29324951

CCCN1C(=O)[C@H]2CCCC[C@H]2C1=O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
RAB9A P51151 2/20 0.46
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
KMT2A Q03164 1/20 0.39
ADORA2A P29274 1/20 0.38

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
SCHEMBL17549818 1.00 ALDH1A1 (0.47) ALDH1A1RAB9AHTTSMN1; SMN2PDE4A
SCHEMBL17532412 0.86 ALDH1A1 (0.53) ALDH1A1RAB9AHTTSMN1; SMN2KMT2A
SCHEMBL11845960 0.86 CNR2 (0.46) ALDH1A1SMN1; SMN2
SCHEMBL17532416 0.82 ALDH1A1 (0.50) ALDH1A1RAB9AHTTSMN1; SMN2KMT2A
SCHEMBL1101920 0.82 ALDH1A1 (0.50) ALDH1A1RAB9AHTT
SCHEMBL29322878 0.82 ALDH1A1 (0.50) ALDH1A1RAB9AHTT
SCHEMBL1147308 0.80 ALDH1A1 (0.48) ALDH1A1RAB9AHTTSMN1; SMN2KMT2A
SCHEMBL17532423 0.80 ALDH1A1 (0.49) ALDH1A1RAB9AHTTSMN1; SMN2KMT2A
SCHEMBL10948563 0.80 ALDH1A1 (0.49) ALDH1A1RAB9AHTTSMN1; SMN2KMT2A
SCHEMBL1147309 0.78 ALDH1A1 (0.47) ALDH1A1RAB9AHTTSMN1; SMN2PDE4A

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
EP-4400504-A1 THIOPHENE RING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Center for Excellence in Molecular Cell Science, Chinese Academy of Sciences (CN) 2024-07-17 EP disclosed