SCHEMBL6947823

SCHEMBL6947823

CC(OC(=O)CC(O)(CC(=O)O)C(=O)O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
KDM4E B2RXH2 6/20 0.48
LMNA P02545 4/20 0.46
MEN1 O00255 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
KMT2A Q03164 2/20 0.46
HCAR2 Q8TDS4 1/20 0.44
ALDH1A1 P00352 2/20 0.44
SLC13A5 Q86YT5 8/20 0.41
FFAR1 O14842 1/20 0.40
LPAR1 Q92633 1/20 0.38
TSHR P16473 2/20 0.37
GMNN O75496 1/20 0.37
ESR1 P03372 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX12 P18054 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL11752688 0.85 MAPT (0.53) MAPTKDM4ELMNAMEN1CYP1A2
SCHEMBL6942123 0.85 MAPT (0.51) MAPTKDM4ELMNAMEN1CYP1A2
SCHEMBL28411415 0.84 KDM4E (0.46) MAPTKDM4ELMNAMEN1CYP1A2
SCHEMBL11828994 0.83 MAPT (0.47) MAPTKDM4ELMNAMEN1CYP1A2
SCHEMBL28592104 0.80 KDM4E (0.47) MAPTKDM4ELMNAMEN1CYP1A2
SCHEMBL6950488 0.80 KDM4E (0.49) MAPTKDM4ELMNAMEN1CYP1A2
SCHEMBL16673279 0.80 HCAR2 (0.50) MAPTKDM4EHCAR2ALDH1A1FFAR1
SCHEMBL23723921 0.79 KDM4E (0.43) MAPTKDM4ELMNAMEN1CYP1A2
Citric Acid SCHEMBL19895397 0.78 MAPT (0.52) MAPTKDM4ELMNAMEN1CYP1A2
SCHEMBL8650508 0.78 HCAR2 (0.49) MAPTKDM4EMEN1KMT2AHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6576247-B1 Applying perfume derivative, selected from glycoside, phosphoric acid ester and/or amino acid derivative, on skin such that microorganism present on skin releases perfume component from derivative, thereby producing aroma KANEBO LTD. AND T. HASEGAWA CO. LTD. (JP) 2003-06-10 US disclosed
EP-0786247-A1 SUSTAINED-RELEASE AROMATIC AND METHOD OF DETECTING MICROORGANISM BY USING THE SAME KANEBO, LTD. (JP) 1997-07-30 EP disclosed