SCHEMBL23130263

SCHEMBL23130263

CSCCC(NC(=O)COc1ccccc1)C(=O)OC(C)NC(=O)Oc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
UBE2N P61088 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KLK7 P49862 1/20 0.40

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
SCHEMBL21891959 0.90 POLB (0.44) POLBKMT2AKLK7
SCHEMBL21891811 0.77 POLB (0.49) POLBKMT2A
SCHEMBL21891748 0.77 CYP1A2 (0.46) POLBMEN1KMT2AKLK7
SCHEMBL21891858 0.76 PPID (0.52) POLBALDH1A1
SCHEMBL5259541 0.76 NPSR1 (0.53) ALDH1A1
SCHEMBL1839387 0.76 NPSR1 (0.53) ALDH1A1
SCHEMBL21891749 0.75 CYP1A2 (0.43) POLBALDH1A1LMNAMEN1KMT2A
SCHEMBL27830439 0.74 BCL2 (0.57) POLBKMT2A
SCHEMBL21891885 0.73 SIRT1 (0.52)
SCHEMBL21891833 0.73 SIRT1 (0.56)

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
EP-3626705-B1 ISOCYANATE PRODUCTION METHOD ASAHI CHEMICAL IND (JP) 2021-03-24 EP disclosed