SCHEMBL24653261

SCHEMBL24653261

CNC(=O)CCCCCNC(=O)c1cccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.57
PPARG P37231 1/20 0.56
HPGD P15428 1/20 0.53
HDAC1 Q13547 11/20 0.53
HDAC2 Q92769 8/20 0.53
HDAC3 O15379 7/20 0.53
HDAC6 Q9UBN7 5/20 0.53
HDAC4 P56524 4/20 0.53
HDAC7 Q8WUI4 4/20 0.53
HDAC10 Q969S8 4/20 0.53
HDAC11 Q96DB2 4/20 0.53
HDAC8 Q9BY41 4/20 0.53
HDAC9 Q9UKV0 4/20 0.53
HDAC5 Q9UQL6 4/20 0.53
NAMPT P43490 1/20 0.50
DRD3 P35462 1/20 0.48

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
SCHEMBL1233412 0.88 HDAC1 (0.67) PPARGHDAC1HDAC2HDAC3HDAC6
SCHEMBL20734835 0.87 HPGD (0.66) PLK1PPARGHPGDHDAC1HDAC2
SCHEMBL9829444 0.85 PPARG (0.74) PPARGHPGDHDAC1HDAC2HDAC3
SCHEMBL12659520 0.84 CNR2 (0.57) PLK1PPARGHPGDHDAC1HDAC2
SCHEMBL13759335 0.84 CNR2 (0.57) PLK1PPARGHPGDHDAC1HDAC2
SCHEMBL1286894 0.83 NAAA (0.67) PLK1PPARGHPGDHDAC8
SCHEMBL27801490 0.83 NAAA (0.67) PLK1PPARGHPGDHDAC8
SCHEMBL3238026 0.83 NAAA (0.67) PLK1PPARGHPGDHDAC8
SCHEMBL13295901 0.83 PPARG (0.55) PLK1PPARGHPGDHDAC1HDAC2
SCHEMBL24341790 0.82 NAAA (0.69) HPGDHDAC1HDAC2HDAC3HDAC6

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
US-20220315926-A1 An Aptamer for Dengue Virus and Related Methods and Products AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2022-10-06 US disclosed