SCHEMBL6357414

SCHEMBL6357414

CCN(CC)c1ccc(C=O)c(CC(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ SRC P12931 1/20 0.49
▸ ALDH3A1 P30838 1/20 0.46
▸ ALDH1A3 P47895 1/20 0.46
▸ MAPT P10636 11/20 0.45
▸ KDM4E B2RXH2 7/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ HPGD P15428 3/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ GAA P10253 4/20 0.41
▸ HTT P42858 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ LMNA P02545 4/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ TERT O14746 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40

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
SCHEMBL7734554 0.84 SRC (0.51) ALDH1A1L3MBTL1SRCMAPTKDM4E
SCHEMBL15800618 0.84 ALDH1A1 (0.63) ALDH1A1L3MBTL1ALDH3A1ALDH1A3MAPT
SCHEMBL11404942 0.78 ALDH1A1 (0.56) ALDH1A1L3MBTL1ALDH3A1ALDH1A3MAPT
SCHEMBL1855413 0.77 ALDH1A1 (0.55) ALDH1A1L3MBTL1ALDH3A1ALDH1A3MAPT
SCHEMBL20876039 0.77 ALDH1A1 (0.55) ALDH1A1L3MBTL1ALDH3A1ALDH1A3MAPT
SCHEMBL28385360 0.77 ALDH1A1 (0.55) ALDH1A1L3MBTL1ALDH3A1ALDH1A3MAPT
SCHEMBL28379902 0.77 ALDH1A1 (0.67) ALDH1A1L3MBTL1ALDH3A1ALDH1A3MAPT
SCHEMBL29397257 0.76 ALDH1A1 (0.61) ALDH1A1L3MBTL1ALDH3A1ALDH1A3MAPT
SCHEMBL56902 0.76 ALDH1A1 (0.61) ALDH1A1L3MBTL1ALDH3A1ALDH1A3MAPT
SCHEMBL9806957 0.76 SRC (0.75) ALDH1A1SRCMAPTKDM4EMEN1

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-118475559-A Compounds for malaria treatment 加泰罗尼亚生物工程基金会研究所 2024-08-09 — — CN disclosed
US-20050278873-A1 Gamma acid type reactive dye NATIONAL TAIPEI UNIVERSITY TECHNOLOGY (TW) 2005-12-22 — — US disclosed
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