SCHEMBL6949699

SCHEMBL6949699

Cc1c(O)c(=O)ccn1CC(O)CO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
CYP2D6 P10635 1/20 0.53
HTT P42858 1/20 0.53
KDM6A O15550 1/20 0.47
KDM4A O75164 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM5C P41229 1/20 0.47
KDM2B Q8NHM5 1/20 0.47
DOHH Q9BU89 1/20 0.47
KDM2A Q9Y2K7 1/20 0.47
APP P05067 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
COMT P21964 2/20 0.41
MAOB P27338 7/20 0.38
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
CCNE2 O96020 1/20 0.34

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
SCHEMBL12289161 0.84 KDM4E (0.50) KDM4ESMN1; SMN2TP53CYP2D6HTT
SCHEMBL9518157 0.83 KDM4E (0.55) KDM4ESMN1; SMN2TP53CYP2D6HTT
SCHEMBL6951334 0.83 KDM4E (0.49) KDM4ESMN1; SMN2TP53CYP2D6HTT
SCHEMBL9351927 0.81 KDM4E (0.57) KDM4ESMN1; SMN2TP53CYP2D6HTT
SCHEMBL12949574 0.80 KDM4E (0.55) KDM4ESMN1; SMN2TP53CYP2D6HTT
SCHEMBL30669409 0.77 SMN1; SMN2 (0.60) KDM4ESMN1; SMN2TP53CYP2D6HTT
SCHEMBL30669346 0.77 SMN1; SMN2 (0.60) KDM4ESMN1; SMN2TP53CYP2D6HTT
SCHEMBL13946853 0.77 KDM4E (0.35) KDM4ESMN1; SMN2TP53CYP2D6HTT
SCHEMBL30669359 0.77 KDM4E (0.49) KDM4ESMN1; SMN2TP53CYP2D6HTT
SCHEMBL30669374 0.77 KDM4E (0.49) KDM4ESMN1; SMN2TP53CYP2D6HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021457-B1 METHOD FOR THE SITE SPECIFIC SYNTHESIS OF NOVEL 3-HYDROXYPYRIDIN-4(1H)-ONES DERIVATIVES FROM AMINOITOLS, PRODUCTS OBTAINED BY THIS METHOD AND THEIR APPLICATIONS ISTITUTO BIOCHIMICO PAVESE PHA (IT) 2003-04-09 EP claimed
US-6177409-B1 2-(ALKYL OR HALOALKYL)-3-HYDROXY PYRAN-4-ONE IS HYDROXYL-PROTECTED, AND REACTED WITH AN AMINO ITOL TO SUBSTITUTED THE INTRACYCLIC OXYGEN OF PYRANONE WITH THE AMINE OF THE AMINO ITOL; IRON(III) CHELATORS FOR BLOOD DISORDERS INSTITUTO BIOCHIMICO PAVESE PHARMA S.P.A. (IT) 2001-01-23 US claimed
WO-1989009211-A1 PROCESS FOR PRODUCING PYRID-4-ONES THE ROYAL FREE HOSPITAL SCHOOL OF MEDICINE (GB) 1989-10-05 WO claimed
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-1021457-B1 METHOD FOR THE SITE SPECIFIC SYNTHESIS OF NOVEL 3-HYDROXYPYRIDIN-4(1H)-ONES DERIVATIVES FROM AMINOITOLS, PRODUCTS OBTAINED BY THIS METHOD AND THEIR APPLICATIONS ISTITUTO BIOCHIMICO PAVESE PHA (IT) 2003-04-09 EP disclosed
US-6177409-B1 2-(ALKYL OR HALOALKYL)-3-HYDROXY PYRAN-4-ONE IS HYDROXYL-PROTECTED, AND REACTED WITH AN AMINO ITOL TO SUBSTITUTED THE INTRACYCLIC OXYGEN OF PYRANONE WITH THE AMINE OF THE AMINO ITOL; IRON(III) CHELATORS FOR BLOOD DISORDERS INSTITUTO BIOCHIMICO PAVESE PHARMA S.P.A. (IT) 2001-01-23 US disclosed
WO-1989009211-A1 PROCESS FOR PRODUCING PYRID-4-ONES THE ROYAL FREE HOSPITAL SCHOOL OF MEDICINE (GB) 1989-10-05 WO disclosed
EP-0335745-A1 Process for producing pyrid-4-ones THE ROYAL FREE HOSPITAL SCHOOL OF MEDICINE (GB) 1989-10-04 EP disclosed