SCHEMBL8610176

SCHEMBL8610176

[CH2]CCC(=O)OCC(=O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.62
▸ KMT2A Q03164 4/20 0.62
▸ MEN1 O00255 3/20 0.62
▸ HPGD P15428 2/20 0.62
▸ L3MBTL1 Q9Y468 2/20 0.62
▸ ALDH1A1 P00352 3/20 0.51
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ HTT P42858 2/20 0.50
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ AGTR1 P30556 1/20 0.47

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
SCHEMBL8609644 0.90 MAPT (0.59) MAPTKMT2AMEN1HPGDL3MBTL1
SCHEMBL8608672 0.85 MAPT (0.57) MAPTKMT2AMEN1HPGDL3MBTL1
SCHEMBL4080431 0.84 MAPT (0.69) MAPTKMT2AMEN1HPGDL3MBTL1
SCHEMBL7611620 0.82 MAPT (0.62) MAPTKMT2AMEN1HPGDL3MBTL1
SCHEMBL9547929 0.81 KMT2A (0.60) MAPTKMT2AMEN1HPGDL3MBTL1
SCHEMBL12064923 0.81 MAPT (0.76) MAPTKMT2AMEN1HPGDL3MBTL1
SCHEMBL4076132 0.81 MAPT (0.69) MAPTKMT2AMEN1HPGDL3MBTL1
SCHEMBL7946523 0.79 MAPT (0.58) MAPTKMT2AMEN1HPGDL3MBTL1
SCHEMBL446368 0.78 MAPT (0.64) MAPTKMT2AMEN1HPGDL3MBTL1
SCHEMBL12065084 0.78 TDP1 (0.67) MAPTKMT2AMEN1HPGDL3MBTL1

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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