SCHEMBL27889554

SCHEMBL27889554

CC(c1ccc(OB(O)O)cc1)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.38
BCHE P06276 2/20 0.36
PYCR1 P32322 1/20 0.35
ALOX5 P09917 3/20 0.35
FAAH O00519 1/20 0.35
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
AOC3 Q16853 1/20 0.32

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
SCHEMBL1371292 0.79 RAB9A (0.42) MEN1MAPTKMT2A
SCHEMBL29040538 0.78 RAB9A (0.41) MEN1MAPTKMT2A
SCHEMBL7929544 0.77 CYP1A2 (0.34) MAPTCYP2C9KMT2A
SCHEMBL18762840 0.76 CHRNA7 (0.43) ACHEBCHEPYCR1ALOX5FAAH
SCHEMBL16291506 0.75 SLC2A1 (0.53) ACHEALOX5MEN1KMT2AAOC3
SCHEMBL27957983 0.74 CYP11B1 (0.36) ALOX5MEN1MAPTCYP2C9KMT2A
SCHEMBL2554730 0.74 CA2 (0.44) MEN1MAPTCYP2C9KMT2A
SCHEMBL3800806 0.73 CA1 (0.38) MEN1KMT2A
SCHEMBL10087250 0.73 PDE2A (0.51) MAPT
SCHEMBL28291853 0.73 ALDH1A1 (0.53) MEN1MAPTCYP2C9KMT2A

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
CN-102917590-A Trycyclic compounds and pbk inhibitors containing the same ONCOTHERAPY SCIENCE INC 2013-02-06 CN disclosed