SCHEMBL8974205

SCHEMBL8974205

CCc1cccc2c(/C=C/C(=O)N3CCCCC3)cc(OC)c(O)c12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.54
TRPV1 Q8NER1 1/20 0.50
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 1/20 0.47
APP P05067 2/20 0.46
BCHE P06276 3/20 0.45
MAOA P21397 3/20 0.45
ACHE P22303 3/20 0.45
MAOB P27338 3/20 0.45
PTGS2 P35354 2/20 0.44
PELI1 Q96FA3 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8974213 1.00 HPGD (0.54) HPGDTRPV1KDM4EALDH1A1KMT2A
SCHEMBL8974227 0.85 HPGD (0.49) HPGDTRPV1KDM4EALDH1A1KMT2A
SCHEMBL8974220 0.85 HPGD (0.49) HPGDTRPV1KDM4EALDH1A1KMT2A
SCHEMBL8974704 0.82 PKM (0.48) HPGDKDM4EALDH1A1KMT2AAPP
SCHEMBL8974694 0.82 PKM (0.48) HPGDKDM4EALDH1A1KMT2AAPP
SCHEMBL8973812 0.76 ERN1 (0.49)
SCHEMBL10227975 0.74 TRPV1 (0.64) HPGDTRPV1KDM4EALDH1A1KMT2A
SCHEMBL8973822 0.73 ERN1 (0.37) KDM4EALDH1A1KMT2APTGS2
SCHEMBL8974825 0.73 ERN1 (0.37) KDM4EALDH1A1KMT2APTGS2
SCHEMBL8973836 0.73 ERN1 (0.37) KDM4EALDH1A1KMT2APTGS2

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
US-5527948-A SUBSTITUTED NAPHTHYL-ALKENOIC ACIDS FOR TREATING AUTOIMMUNE DISORDERS EISAI CORP. LTD. (JP) 1996-06-18 US disclosed
US-5298649-A Antiinflammatory agents, rheumatic agents and treatment of autoimmune diseases EISAI CO., LTD. (JP) 1994-03-29 US disclosed
EP-0376288-B1 Naphthalene derivative EISAI CO LTD (JP) 1994-03-09 EP disclosed
US-5134111-A Inhibitors of interleukin-1 as antiinflammatory agents EISAI CO., LTD. (JP) 1992-07-28 US disclosed
EP-0376288-A1 Naphthalene derivative Eisai Co., Ltd. (JP) 1990-07-04 EP disclosed