SCHEMBL6789754

SCHEMBL6789754

O=C(CCCCN1C(=O)c2ccccc2C1=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
HPGD P15428 2/20 0.57
TDP1 Q9NUW8 2/20 0.56
HDAC8 Q9BY41 3/20 0.55
HDAC3 O15379 2/20 0.55
HDAC4 P56524 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC9 Q9UKV0 2/20 0.55
HDAC5 Q9UQL6 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 3/20 0.52
HSD17B10 Q99714 2/20 0.52
MEN1 O00255 1/20 0.52
ACHE P22303 4/20 0.50

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
SCHEMBL10725421 0.99 L3MBTL1 (0.59) ALDH1A1L3MBTL1HPGDTDP1HDAC8
SCHEMBL7326127 0.86 L3MBTL1 (0.54) ALDH1A1L3MBTL1HPGDTDP1HDAC8
SCHEMBL7330429 0.85 L3MBTL1 (0.56) ALDH1A1L3MBTL1HPGDTDP1HDAC8
SCHEMBL9798967 0.83 ALDH1A1 (0.58) ALDH1A1L3MBTL1HPGDTDP1HDAC8
SCHEMBL10555513 0.82 SMN1; SMN2 (0.62) ALDH1A1L3MBTL1HPGDTDP1HDAC8
SCHEMBL8575004 0.82 POLB (0.56) ALDH1A1L3MBTL1HPGDTDP1SMN1; SMN2
SCHEMBL20526179 0.82 ALDH1A1 (0.61) ALDH1A1L3MBTL1HPGDTDP1SMN1; SMN2
SCHEMBL2618100 0.82 HDAC8 (0.59) ALDH1A1L3MBTL1HPGDTDP1HDAC8
SCHEMBL7589770 0.82 HDAC8 (0.59) ALDH1A1L3MBTL1HPGDTDP1HDAC8
SCHEMBL7547276 0.82 HDAC8 (0.59) ALDH1A1L3MBTL1HPGDTDP1HDAC8

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-6677333-B1 ANTIISCHEMIC AGENTS; BRAIN, CARDIOVASCULAR, MUSCULAR, AND GASTROINTESTINAL DISORDERS; ANALGESICS, ANTIDIABETIC AGENTS; RETROVIRUS SENSITIZERS; ALZHEIMER*S DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2004-01-13 US disclosed
EP-1148053-A1 2H-PHTHALAZIN-1-ONE DERIVATIVES AND DRUGS COMPRISING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-24 EP disclosed