SCHEMBL8609809

SCHEMBL8609809

CC(=O)Oc1cc2cc[nH]c2cc1O.Cc1c[nH]c2ccc(O)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.41
ALOX15 P16050 2/20 0.41
GAA P10253 2/20 0.41
USP2 O75604 1/20 0.41
RAD51 Q06609 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
TYR P14679 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 4/20 0.38
BLM P54132 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
SPR P35270 2/20 0.38
IDO1 P14902 1/20 0.38
NOTUM Q6P988 1/20 0.38
NFKB1 P19838 3/20 0.37
LMNA P02545 3/20 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
SCHEMBL1702125 0.84 BACE1 (0.42) NPSR1ALOX15GAAUSP2RAD51
SCHEMBL9442085 0.79 BACE1 (0.42) NPSR1ALOX15GAAUSP2RAD51
SCHEMBL6717966 0.76 TYR (0.60) NPSR1ALOX15GAAUSP2RAD51
SCHEMBL8934944 0.76 KDM4E (0.51) ALOX15GAAALDH1A1KDM4EMAPT
SCHEMBL19846981 0.76 SLC22A6 (0.64) NPSR1ALOX15SLC22A6ALDH1A1KDM4E
SCHEMBL9413340 0.76 ACHE (0.47) SLC22A6ALDH1A1KDM4EBLMHPGD
SCHEMBL1701759 0.74 CA12 (0.46) NPSR1ALOX15GAAUSP2RAD51
SCHEMBL9511892 0.74 BCHE (0.44) GAASLC22A6ALDH1A1KDM4EBLM
SCHEMBL664847 0.74 HTR2C (0.53) NPSR1ALDH1A1KDM4EBLMMAPT
SCHEMBL27693186 0.70 HTR1D (0.60) GAASLC22A6ALDH1A1KDM4EBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544874-B1 METHOD FOR PREPARING SUBMICRON PARTICLES IN THE PRESENCE OF LIPID VESICLES, AND CORRESPONDING COMPOSITIONS OREAL (FR) 1998-04-08 EP claimed