SCHEMBL7997100

SCHEMBL7997100

C=CCC12CCCCC1C(=O)NC2=O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL4457701 0.85 GAA (0.31) GAAHPGDMAPK1
SCHEMBL17583481 0.78 HSD11B1 (0.33)
SCHEMBL727342 0.74 GAA (0.33) GAAHPGDMAPK1
SCHEMBL206199 0.74 TSHR (0.34) GAAHPGDMAPK1
SCHEMBL10907998 0.72 HTT (0.41) GAAHPGDMAPK1POLB
SCHEMBL13805696 0.70
SCHEMBL7386336 0.69 KDM1A (0.36) GAA
SCHEMBL481258 0.67 THRB (0.33) POLB
SCHEMBL6901500 0.65 HSD11B1 (0.31)
SCHEMBL2011171 0.65 HSD11B1 (0.31)

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-6184185-B1 CYCLIC CARBOXYLIC ACID IMIDE HAVING BORON IN THE MOLECULE AND SUBSTITUTED BY AN ALKYL OR ALKENYL GROUP, WHEREIN THE CYCLIC CARBOXYLIC ACID IMIDE IS CONTAINED AT 0.1 TO 12 WT % BASED ON THE WHOLE COMPOSITION TONEN CORPORATION (JP) 2001-02-06 US disclosed