SCHEMBL26530426

SCHEMBL26530426

O=CC1C(=O)/C(=C\NCCN2CCN(CCO)CC2)C(=O)CC1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 4/20 0.39
▸ SLC18A3 Q16572 1/20 0.38
▸ SIGMAR1 Q99720 4/20 0.36
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL21821648 0.88 KDM1A (0.41) KDM1ASLC18A3SIGMAR1MEN1KMT2A
SCHEMBL21821651 0.88 KDM1A (0.41) KDM1ASLC18A3SIGMAR1MEN1KMT2A
SCHEMBL21821816 0.87 KDM1A (0.40) KDM1ASLC18A3SIGMAR1MEN1KMT2A
SCHEMBL21821817 0.87 KDM1A (0.40) KDM1ASLC18A3SIGMAR1MEN1KMT2A
SCHEMBL21821975 0.84 KDM1A (0.38) KDM1ASLC18A3SIGMAR1MEN1KMT2A
SCHEMBL21821973 0.84 KDM1A (0.38) KDM1ASLC18A3SIGMAR1MEN1KMT2A
SCHEMBL21821692 0.84 KDM1A (0.38) KDM1ASLC18A3SIGMAR1MEN1KMT2A
SCHEMBL21821689 0.84 KDM1A (0.38) KDM1ASLC18A3SIGMAR1MEN1KMT2A
SCHEMBL26521959 0.84 KDM1A (0.38) KDM1ASLC18A3SIGMAR1MEN1KMT2A
SCHEMBL21821591 0.82 SLC18A3 (0.50) KDM1ASLC18A3MEN1KMT2AALDH1A1

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-3632903-B1 COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF WIGEN BIOMEDICINE TECH SHANGHAI CO LTD (CN) 2023-10-11 — — EP disclosed
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