SCHEMBL8537413

SCHEMBL8537413

O=CNCCC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAPK1 P28482 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
HTT P42858 1/20 0.48
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPHX2 P34913 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
KMT2A Q03164 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
MEN1 O00255 2/20 0.46
ADH1B P00325 1/20 0.46
ADH1C P00326 1/20 0.46
ADH1A P07327 1/20 0.46
ADH7 P40394 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
TGM2 P21980 1/20 0.46

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
SCHEMBL8610893 0.91 EPHX2 (0.53) ALDH1A1MAPK1L3MBTL1HTTLMNA
SCHEMBL8615529 0.91 HTT (0.52) ALDH1A1MAPK1L3MBTL1HTTLMNA
SCHEMBL8610228 0.89 EPHX2 (0.55) ALDH1A1MAPK1L3MBTL1HTTLMNA
SCHEMBL13323438 0.86 ALDH1A1 (0.61) ALDH1A1MAPK1L3MBTL1HTTLMNA
SCHEMBL5733972 0.83 ALDH1A1 (0.58) ALDH1A1MAPK1L3MBTL1LMNASMN1; SMN2
SCHEMBL23518456 0.83 LMNA (0.45) ALDH1A1MAPK1L3MBTL1HTTLMNA
SCHEMBL3660419 0.82 HTT (0.56) ALDH1A1MAPK1L3MBTL1HTTLMNA
SCHEMBL4169984 0.82 CCR6 (0.57) ALDH1A1MAPK1L3MBTL1HTTLMNA
SCHEMBL24119984 0.82 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1HTTLMNA
SCHEMBL2587934 0.81 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US claimed
EP-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP claimed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO claimed
CN-106279125-A Coumarin derivative and preparation method thereof 首都医科大学 2017-01-04 CN disclosed
CN-1205687-A Tyrosin-derivate as alpha-V-integrin inhibitors MERCK PATENT GES MIT BESCHR KT (DE) 1999-01-20 CN disclosed
US-5763437-A Benzodiazepine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-09 US disclosed
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
EP-0804425-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-11-05 EP disclosed
US-5656604-A HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
WO-1996004254-A2 BENZODIAZEPINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO 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