SCHEMBL9329980

SCHEMBL9329980

O=C(OCc1ccccc1)C(=CCCCCCN1C(=O)c2ccccc2C1=O)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ACHE P22303 6/20 0.47
HPGD P15428 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MAOB P27338 1/20 0.45
HDAC8 Q9BY41 3/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45

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
SCHEMBL7330429 0.81 L3MBTL1 (0.56) TDP1L3MBTL1ACHEHPGDALDH1A1
SCHEMBL7326127 0.80 L3MBTL1 (0.54) TDP1L3MBTL1ACHEHPGDALDH1A1
SCHEMBL10725421 0.79 L3MBTL1 (0.59) TDP1L3MBTL1ACHEHPGDALDH1A1
SCHEMBL4925328 0.78 ALDH1A1 (0.52) TDP1L3MBTL1ALDH1A1LMNATSHR
SCHEMBL6789754 0.77 ALDH1A1 (0.57) TDP1L3MBTL1ACHEHPGDALDH1A1
SCHEMBL5146080 0.75 ITGB3 (0.40) TDP1L3MBTL1ALDH1A1LMNATSHR
SCHEMBL5094773 0.74 L3MBTL1 (0.55) TDP1L3MBTL1ACHEHPGDALDH1A1
SCHEMBL6578347 0.74 TDP1 (0.51) TDP1L3MBTL1ACHEALDH1A1LMNA
SCHEMBL5574643 0.73 HDAC8 (0.59) TDP1L3MBTL1HPGDALDH1A1SMN1; SMN2
SCHEMBL5574642 0.73 HDAC8 (0.59) TDP1L3MBTL1HPGDALDH1A1SMN1; SMN2

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
US-5304549-A Control or prevention of degenerative joint diseases HOFFMANN-LA ROCHE INC. (US) 1994-04-19 US disclosed
EP-0497192-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-08-05 EP disclosed