SCHEMBL2477673

SCHEMBL2477673

COC(=O)C(C)c1c[nH]cn1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 1/20 0.31
MT-CO2 P00403 1/20 0.31

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
SCHEMBL23376620 0.81 KMT2A (0.31) KMT2A
SCHEMBL9789201 0.80
SCHEMBL1218467 0.79 PTGS2 (0.33) PTGS1PTGS2
Hydrochloric Acid SCHEMBL23038345 0.79 KMT2A (0.30) KMT2A
Hydrochloric Acid SCHEMBL9789372 0.79
Hydrochloric Acid SCHEMBL6625509 0.78 POLB (0.33) PTGS1PTGS2
Hydrochloric Acid SCHEMBL1375002 0.78 POLB (0.33) PTGS1PTGS2
SCHEMBL2154186 0.78 EPHX1 (0.33)
SCHEMBL2360874 0.77 ESR1 (0.33)
SCHEMBL28949356 0.77 CA12 (0.36) ALDH1A1KMT2A

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-2011107948-A2 LIGANDS OF INSULIN DEGRADING ENZYME AND THEIR USES UNIVERSITE LILLE 2 DROIT ET SANTE (FR) 2011-09-09 WO disclosed