SCHEMBL8608674

SCHEMBL8608674

O=C(O)[CH]CCC(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.57
▸ MAPT P10636 3/20 0.57
▸ LMNA P02545 3/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.57
▸ NR4A2 P43354 1/20 0.57
▸ MAPK1 P28482 3/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ CES1 P23141 1/20 0.52
▸ HDAC1 Q13547 5/20 0.52
▸ HDAC8 Q9BY41 5/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ GAA P10253 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ HDAC3 O15379 1/20 0.52

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
SCHEMBL8611727 0.88 TDP1 (0.64) TDP1MAPTLMNAL3MBTL1NR4A2
SCHEMBL8609649 0.86 TDP1 (0.68) TDP1MAPTLMNAL3MBTL1NR4A2
SCHEMBL276676 0.81 NR4A2 (0.65) TDP1MAPTLMNAL3MBTL1NR4A2
SCHEMBL28790730 0.80 TDP1 (0.53) TDP1MAPTLMNAL3MBTL1NR4A2
SCHEMBL30121738 0.79 NR4A2 (0.85) TDP1MAPTLMNAL3MBTL1NR4A2
SCHEMBL719034 0.79 NR4A2 (0.85) TDP1MAPTLMNAL3MBTL1NR4A2
SCHEMBL8974873 0.79 L3MBTL1 (0.57) TDP1MAPTLMNAL3MBTL1NR4A2
SCHEMBL317112 0.79 MAPT (0.57) TDP1MAPTLMNAL3MBTL1NR4A2
SCHEMBL28180778 0.79 L3MBTL1 (0.57) TDP1MAPTLMNAL3MBTL1NR4A2
SCHEMBL8612273 0.78 TDP1 (0.56) TDP1MAPTLMNAL3MBTL1NR4A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0457195-B1 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1998-04-15 — — EP disclosed
US-5656604-A HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 — — US disclosed
US-5430022-A Endothelin antagonists; hypotensive agents; treatment for angina pectoris, brain disorders, asthma, renal failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-04 — — US disclosed
US-5284828-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 1994-02-08 — — US disclosed
EP-0457195-A2 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-21 — — EP disclosed
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