SCHEMBL8538485

SCHEMBL8538485

NC(Cc1cccc(CC(=O)O)n1)(Cc1cccc(CC(=O)O)n1)C(N)(Cc1cccc(CC(=O)O)n1)Cc1cccc(CC(=O)O)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
GABRA5 P31644 1/20 0.44
GABRB2 P47870 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
GAA P10253 3/20 0.38
MAPT P10636 2/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 1/20 0.38
PDE5A O76074 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL4495296 0.86 AKR1B1 (0.48) HSD17B10GABRA5GABRB2NPSR1KDM4E
SCHEMBL22070781 0.79 AKR1B1 (0.41) HSD17B10GABRA5GABRB2NPSR1KDM4E
SCHEMBL2310375 0.78 KDM4E (0.57) KDM4ETDP1LMNA
SCHEMBL27860588 0.77 AKR1B1 (0.44) HSD17B10GABRA5GABRB2NPSR1KDM4E
SCHEMBL2731062 0.77 GABRA5 (0.47) HSD17B10GABRA5GABRB2KDM4ESMN1; SMN2
SCHEMBL29781523 0.77 GABRA5 (0.47) HSD17B10GABRA5GABRB2KDM4ESMN1; SMN2
SCHEMBL29755971 0.76 P2RX7 (0.50) KDM4ESMN1; SMN2CYP2C19
SCHEMBL868879 0.76 P2RX7 (0.50) KDM4ESMN1; SMN2CYP2C19
Hydrochloric Acid SCHEMBL5471608 0.76 GABRA5 (0.46) HSD17B10GABRA5GABRB2KDM4ESMN1; SMN2
SCHEMBL18549597 0.74 PDE5A (0.47) HSD17B10GABRA5GABRB2KDM4ESMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012069573-A1 PROCESS FOR SEPARATING AMERICIUM FROM OTHER METALLIC ELEMENTS PRESENT IN AN ACIDIC AQUEOUS OR ORGANIC PHASE AND APPLICATIONS THEREOF Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2012-05-31 WO disclosed