SCHEMBL6950488

SCHEMBL6950488

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
MAPT P10636 2/20 0.46
LMNA P02545 5/20 0.44
CYP1A2 P05177 4/20 0.44
CYP2D6 P10635 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HIF1A Q16665 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
CYP2C9 P11712 2/20 0.39
MAPK1 P28482 2/20 0.39
ESR1 P03372 2/20 0.39
GMNN O75496 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 1/20 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
SCHEMBL6947823 0.80 MAPT (0.51) KDM4EMAPTLMNACYP1A2CYP2D6
SCHEMBL11752688 0.79 MAPT (0.53) KDM4EMAPTLMNACYP1A2CYP2D6
SCHEMBL28411415 0.78 KDM4E (0.46) KDM4EMAPTLMNACYP1A2CYP2D6
SCHEMBL6942123 0.76 MAPT (0.51) KDM4EMAPTLMNACYP1A2CYP2D6
SCHEMBL23723921 0.76 KDM4E (0.43) KDM4EMAPTLMNACYP1A2CYP2D6
SCHEMBL11828994 0.75 MAPT (0.47) KDM4EMAPTLMNACYP1A2CYP2D6
Citric Acid SCHEMBL4750697 0.75 LMNA (0.61) KDM4EMAPTLMNACYP1A2CYP2D6
SCHEMBL28592104 0.75 KDM4E (0.47) KDM4EMAPTLMNACYP1A2CYP2D6
SCHEMBL2831494 0.73 ALDH1A1 (0.54) KDM4EMAPTLMNACYP1A2CYP2D6
SCHEMBL10336055 0.72 KDM4E (0.44) KDM4EMAPTLMNACYP1A2CYP2D6

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