SCHEMBL9518157

SCHEMBL9518157

Cc1c(O)c(=O)ccn1CC(C)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
TP53 P04637 1/20 0.55
CYP2D6 P10635 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KDM6A O15550 1/20 0.50
KDM4A O75164 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM5C P41229 1/20 0.50
KDM2B Q8NHM5 1/20 0.50
DOHH Q9BU89 1/20 0.50
KDM2A Q9Y2K7 1/20 0.50
APP P05067 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
COMT P21964 2/20 0.44
MAOB P27338 9/20 0.39

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
SCHEMBL9351927 0.88 KDM4E (0.57) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL12289163 0.85 KDM4E (0.54) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL6949699 0.83 KDM4E (0.53) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL10480753 0.83 KDM4E (0.42) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL12949574 0.83 KDM4E (0.55) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL9387565 0.82 KDM4E (0.51) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL9700134 0.82 KDM4E (0.55) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL30669359 0.80 KDM4E (0.49) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL6951334 0.80 KDM4E (0.49) KDM4ETP53CYP2D6HTTSMN1; SMN2
SCHEMBL9517263 0.80 KDM4E (0.49) KDM4ETP53CYP2D6HTTSMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0335745-A1 Process for producing pyrid-4-ones THE ROYAL FREE HOSPITAL SCHOOL OF MEDICINE (GB) 1989-10-04 EP claimed
WO-2011131474-A2 SKIN-GENTLE DEODORANTS AND ANTIPERSPIRANTS HENKEL AG & CO. KGAA (DE) 2011-10-27 WO disclosed
WO-2011006689-A2 COSMETIC AND DERMATOLOGICAL TOPICAL COMPOSITIONS HAVING A HAIR GROWTH-MINIMISING OR HAIR GROWTH-INHIBITING EFFECT HENKEL AG & CO. KGAA (DE) 2011-01-20 WO disclosed
WO-2011003641-A2 DEODORANTS AND ANTIPERSPIRANTS HAVING AGENTS MINIMIZING OR INHIBITING HAIR GROWTH HENKEL AG & CO. KGAA (DE) 2011-01-13 WO disclosed
EP-0397409-B1 THE STABILIZATION OF ORGANIC COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 1993-07-21 EP disclosed
US-5185319-A STABILIZATION OF ORGANIC COMPOUNDS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1993-02-09 US disclosed
EP-0397409-A1 The stabilization of organic compounds BTG INTERNATIONAL LIMITED (GB) 1990-11-14 EP disclosed
EP-0335745-A1 Process for producing pyrid-4-ones THE ROYAL FREE HOSPITAL SCHOOL OF MEDICINE (GB) 1989-10-04 EP disclosed