SCHEMBL987381

SCHEMBL987381

O=C(Cl)[C@H]1CC1c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.63
ALDH1A1 P00352 2/20 0.61
SLC9A1 P19634 1/20 0.58
HPGD P15428 1/20 0.54
FFAR1 O14842 1/20 0.53
DEGS1 O15121 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
NAMPT P43490 1/20 0.51
SIGMAR1 Q99720 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
HRH3 Q9Y5N1 4/20 0.50
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL8183655 1.00 HDAC4 (0.63) HDAC4ALDH1A1SLC9A1HPGDFFAR1
SCHEMBL1524081 1.00 HDAC4 (0.63) HDAC4ALDH1A1SLC9A1HPGDFFAR1
SCHEMBL1623752 1.00 HDAC4 (0.63) HDAC4ALDH1A1SLC9A1HPGDFFAR1
SCHEMBL452300 1.00 HDAC4 (0.63) HDAC4ALDH1A1SLC9A1HPGDFFAR1
SCHEMBL12431140 1.00 HDAC4 (0.63) HDAC4ALDH1A1SLC9A1HPGDFFAR1
SCHEMBL452299 1.00 HDAC4 (0.63) HDAC4ALDH1A1SLC9A1HPGDFFAR1
SCHEMBL11475389 0.86 HDAC4 (0.50) HDAC4ALDH1A1SLC9A1HPGDFFAR1
SCHEMBL2034678 0.84 FFAR1 (0.70) HDAC4ALDH1A1SLC9A1HPGDFFAR1
SCHEMBL8295172 0.84 FFAR1 (0.70) HDAC4ALDH1A1SLC9A1HPGDFFAR1
SCHEMBL5217474 0.84 FFAR1 (0.70) HDAC4ALDH1A1SLC9A1HPGDFFAR1

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
WO-2017066103-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. (US) 2017-04-20 WO disclosed
EP-2504317-A1 POTASSIUM CHANNEL MODULATORS Abbott Laboratories (US) 2012-10-03 EP disclosed
WO-2011137331-A2 4-FLUORO-4-ARYLPIPERDIN-1-YL DERIVATIVES AS MU OPIOID FUNCTION MODERATORS KINENTIA BIOSCIENCES LLC (US) 2011-11-03 WO disclosed
WO-2011066168-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-06-03 WO disclosed
WO-2011034849-A1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMED PHARMA, INC. (US) 2011-03-24 WO disclosed
EP-2271646-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-01-12 EP disclosed
EP-2268140-A2 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS Aurimmed Pharma, Inc. (US) 2011-01-05 EP disclosed
EP-2195293-A2 CYCLOPTOPYL AMIDE DERIVATIVES AstraZeneca AB (SE) 2010-06-16 EP disclosed
WO-2009123986-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 WO disclosed
WO-2009117515-A2 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA, INC. (US) 2009-09-24 WO disclosed
WO-2009024823-A2 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2009-02-26 WO disclosed
EP-1451187-A1 AMIDE SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2004-09-01 EP disclosed
WO-2003050118-A1 AMIDE SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-06-19 WO disclosed