SCHEMBL5989756

SCHEMBL5989756

Cc1cccc(Oc2cc(Cl)ccc2C=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ NPSR1 Q6W5P4 2/20 0.51
▸ HTR2C P28335 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.45
▸ GAA P10253 2/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ HTR2A P28223 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ LMNA P02545 4/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ ACHE P22303 1/20 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
SCHEMBL23709944 0.88 SLC6A4 (0.50) L3MBTL1NPSR1HTR2CHTR2BGAA
SCHEMBL5989078 0.83 HTR2A (0.52) NPSR1HTR2CHTR2BALDH1A1GAA
SCHEMBL20536242 0.83 LMNA (0.62) L3MBTL1NPSR1ALDH1A1GAAKMT2A
SCHEMBL5989471 0.82 LMNA (0.42) L3MBTL1NPSR1GAAKMT2AHTR2A
SCHEMBL3303519 0.79 ALDH1A1 (0.50) L3MBTL1NPSR1ALDH1A1GAAKMT2A
SCHEMBL15065366 0.78 ALDH1A1 (0.59) ALDH1A1GAAKMT2AHTR2ASLC6A4
SCHEMBL20535203 0.77 HTR2A (0.51) ALDH1A1HTR2ASLC6A4KCNH2TDP1
SCHEMBL5989737 0.77 L3MBTL1 (0.63) L3MBTL1NPSR1HTR2CHTR2BALDH1A1
SCHEMBL12879326 0.76 L3MBTL1 (0.71) L3MBTL1HTR2CHTR2BALDH1A1GAA
SCHEMBL30191620 0.76 MRGPRX4 (0.46) L3MBTL1NPSR1ALDH1A1GAAKMT2A

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-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 — — US disclosed
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