SCHEMBL8974227

SCHEMBL8974227

CCc1cccc2c(C=CC(=O)N3CCCCC3)cc(OC)c(OCOC)c12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.49
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 4/20 0.47
APP P05067 3/20 0.44
TRPV1 Q8NER1 1/20 0.44
KMT2A Q03164 1/20 0.43
BCHE P06276 3/20 0.42
MAOA P21397 3/20 0.42
ACHE P22303 3/20 0.42
MAOB P27338 3/20 0.42
PTGS2 P35354 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL8974220 1.00 HPGD (0.49) HPGDKDM4EALDH1A1APPTRPV1
SCHEMBL8974213 0.85 HPGD (0.54) HPGDKDM4EALDH1A1APPTRPV1
SCHEMBL8974205 0.85 HPGD (0.54) HPGDKDM4EALDH1A1APPTRPV1
SCHEMBL8974844 0.84 PTGER4 (0.44) HPGDKDM4EALDH1A1KMT2AMAPT
SCHEMBL8974902 0.84 PTGER4 (0.44) HPGDKDM4EALDH1A1KMT2AMAPT
SCHEMBL8974298 0.78 MCL1 (0.38) KDM4EALDH1A1L3MBTL1MAPTCYP2C19
SCHEMBL8974519 0.75 PTPN1 (0.36) KDM4EALDH1A1KMT2ASMN1; SMN2TDP1
SCHEMBL8974484 0.75 PTPN1 (0.36) KDM4EALDH1A1KMT2ASMN1; SMN2TDP1
SCHEMBL8974504 0.75 PTPN1 (0.36) KDM4EALDH1A1KMT2ASMN1; SMN2TDP1
SCHEMBL8973940 0.72 MAPT (0.41) ALDH1A1KMT2AL3MBTL1MAPTSMN1; SMN2

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