SCHEMBL7293113

SCHEMBL7293113

CCCCOc1ccc(C=CCCC=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.53
▸ ABCG2 Q9UNQ0 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ PTPN1 P18031 2/20 0.47
▸ PTGS1 P23219 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ SAE1 Q9UBE0 1/20 0.43
▸ UBA2 Q9UBT2 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ TUBB4A P04350 1/20 0.42
▸ TUBB P07437 1/20 0.42

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
SCHEMBL7340097 0.95 AHR (0.49) AHRABCG2SMN1; SMN2ALDH1A1LMNA
SCHEMBL2090762 0.87 AHR (0.55) AHRABCG2SMN1; SMN2ALDH1A1LMNA
SCHEMBL2089656 0.85 AHR (0.57) AHRABCG2SMN1; SMN2ALDH1A1LMNA
SCHEMBL13464287 0.82 NR5A1 (0.54) AHRABCG2TSHRLTA4H
SCHEMBL29278710 0.82 AHR (0.54) AHRABCG2SMN1; SMN2ALDH1A1LMNA
SCHEMBL7293109 0.81 AHR (0.50) AHRABCG2SMN1; SMN2ALDH1A1LMNA
SCHEMBL9244775 0.81 AHR (0.50) AHRABCG2SMN1; SMN2ALDH1A1LMNA
SCHEMBL19043228 0.81 LTA4H (0.52) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL9915594 0.80 AHR (0.73) AHRABCG2ALDH1A1MAPTHPGD
SCHEMBL3066497 0.80 ALDH1A1 (0.67) AHRABCG2SMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1038586-C Pyrazine derivatives and process for preparing same OTSUKA PHARMA CO LTD (JP) 1998-06-03 — — CN disclosed
US-5459142-A Autoimmune disease, atherosclerosis, antiischemic agents and nephritis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-10-17 — — US disclosed
EP-0511879-B1 Pyrazine derivatives OTSUKA PHARMA CO LTD (JP) 1995-03-22 — — EP disclosed
US-5306719-A Cardiotonic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 — — US disclosed
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 — — EP disclosed
US-5071856-A CARBOSTYRIL DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-12-10 — — US disclosed
US-4886809-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-12-12 — — US disclosed
EP-0255134-A2 Carbostyril derivatives and salts thereof, process for preparing them, and cardiotonic composition containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-02-03 — — EP disclosed
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