SCHEMBL6511339

SCHEMBL6511339

O=C(O)c1c[c]cc(C(=O)O)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
ALOX15 P16050 3/20 0.52
TSHR P16473 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
ACMSD Q8TDX5 1/20 0.52
HIF1A Q16665 1/20 0.50
LMNA P02545 2/20 0.38
MGAM O43451 1/20 0.37
NAPRT Q6XQN6 2/20 0.36
P4HTM Q9NXG6 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HCAR2 Q8TDS4 2/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GNE Q9Y223 1/20 0.35
P4HA1 P13674 1/20 0.34
MIF P14174 1/20 0.34
KDM5A P29375 2/20 0.33
KDM3A Q9Y4C1 2/20 0.33

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
SCHEMBL5847631 0.84 KDM4E (0.38) KDM4EALOX15TSHRTDP1ACMSD
SCHEMBL126487 0.70
Chelidamic Acid SCHEMBL113302 0.70 ALOX15 (0.61) KDM4EALOX15TSHRTDP1ACMSD
SCHEMBL69399 0.69 KDM4E (0.55) KDM4EALOX15TSHRTDP1ACMSD
Dipicolinic Acid SCHEMBL34595 0.69 KDM4E (1.00) KDM4EALOX15TSHRTDP1ACMSD
Dipicolinic Acid SCHEMBL720696 0.69 KDM4E (1.00) KDM4EALOX15TSHRTDP1ACMSD
SCHEMBL6509907 0.69 ALOX15 (0.67) KDM4EALOX15TSHRTDP1ACMSD
SCHEMBL27435854 0.67 ALOX15 (0.37) KDM4EALOX15TSHRTDP1ACMSD
SCHEMBL336311 0.67 TSHR (1.00) KDM4EALOX15TSHRTDP1ACMSD
Dipicolinic Acid SCHEMBL3732330 0.67 KDM4E (0.94) KDM4EALOX15TSHRTDP1ACMSD

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-6893716-B2 Non-covalent assembly of multilayer thin film supramolecular structures WORCESTER POLYTECHNIC INSTITUTE (US) 2005-05-17 US disclosed
US-20040110009-A1 Non-covalent assembly of multilayer thin film supramolecular structures WORCESTER POLYTECHNIC INSTITUTE 2004-06-10 US disclosed