SCHEMBL8890005

SCHEMBL8890005

CCCC([C]=O)Oc1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
OGG1 O15527 1/20 0.44
SLC6A4 P31645 1/20 0.44
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
FAAH O00519 1/20 0.41
FFAR1 O14842 1/20 0.39
GRM5 P41594 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNH2 Q12809 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL8888732 0.81 PPARA (0.41) SLC6A4
SCHEMBL950050 0.80 PPARG (0.41) SLC6A4ALDH1A1LMNASMN1; SMN2
SCHEMBL19405290 0.78 OGG1 (0.49) KMT2AOGG1SLC6A4KDM4EALDH1A1
SCHEMBL13124486 0.76 SLC6A4 (0.47) KMT2AOGG1SLC6A4KDM4EALDH1A1
SCHEMBL8887237 0.76 SLC6A4 (0.47) KMT2AOGG1SLC6A4KDM4EALDH1A1
SCHEMBL8890012 0.76 KMT2A (0.44) KMT2AOGG1SLC6A4KDM4EALDH1A1
SCHEMBL7214869 0.76 OGG1 (0.54) KMT2AOGG1SLC6A4KDM4EALDH1A1
SCHEMBL1500501 0.74 LTA4H (0.43) SLC6A4L3MBTL1MAPK1
SCHEMBL5483159 0.74 OGG1 (0.43) KMT2AOGG1SLC6A4KDM4EALDH1A1
SCHEMBL5483162 0.74 OGG1 (0.43) KMT2AOGG1SLC6A4KDM4EALDH1A1

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
US-5691340-A CENTRAL NERVOUS SYSTEM DISORDERS, STROKES, CARDIOVASCULAR DISORDERS, ALZHEIMER*S DISEASE OR ANTIINFLAMMATORY AGENTS ADIR ET COMPAGNIE (FR) 1997-11-25 US disclosed