SCHEMBL8530912

SCHEMBL8530912

CCN(CC)CC.COCCOCCOCCOC

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RECQL P46063 1/20 0.31
BCHE P06276 1/20 0.30
ACHE P22303 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
SCHEMBL28154335 1.00 CA2 (0.35) CA2MEN1POLBKMT2ACYP3A4
SCHEMBL28168369 0.88 MEN1 (0.50) CA2MEN1KMT2ACYP3A4TSHR
SCHEMBL18323717 0.87 MEN1 (0.50) CA2MEN1POLBKMT2ACYP3A4
SCHEMBL19554733 0.87 MEN1 (0.45) CA2MEN1POLBKMT2ACYP3A4
SCHEMBL4545007 0.87 MEN1 (0.50) CA2MEN1POLBKMT2ACYP3A4
SCHEMBL22953317 0.87 MEN1 (0.50) CA2MEN1POLBKMT2ACYP3A4
SCHEMBL9191084 0.87 MEN1 (0.45) CA2MEN1POLBKMT2ACYP3A4
SCHEMBL3281247 0.85 MEN1 (0.30) MEN1POLBKMT2A
SCHEMBL24874181 0.83 BCHE (0.39) MEN1POLBKMT2ACYP3A4TSHR
SCHEMBL10835191 0.80 CA2 (0.44) CA2MEN1KMT2ACYP3A4TSHR

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-5760198-A Process for preparation of 4\"-deoxyerythromycins A and B ABBOTT LABORATORIES (US) 1998-06-02 US disclosed