SCHEMBL28519935

SCHEMBL28519935

CC(Oc1cccc(CNCCO)c1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.50
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
FFAR1 O14842 1/20 0.45
CHRM2 P08172 1/20 0.45
CD274 Q9NZQ7 2/20 0.44
POLB P06746 1/20 0.44
PDCD1 Q15116 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL27570726 0.82 FFAR1 (0.52) BCHEMEN1KMT2AFFAR1
SCHEMBL14965615 0.80 MEP1B (0.50) BCHEMEN1KMT2ACHRM2POLB
SCHEMBL9416030 0.77 CHRM2 (0.71) BCHEMEN1KMT2ACHRM2KDM4E
SCHEMBL13999438 0.77 BACE1 (0.50) BCHECHRM2CD274PDCD1
SCHEMBL30821452 0.76 BCHE (0.76) BCHEMEN1KMT2AKDM4EALDH1A1
SCHEMBL10011367 0.76 BCHE (0.76) BCHEMEN1KMT2AKDM4EALDH1A1
Oxalic Acid SCHEMBL2389436 0.75 PTGS1 (0.44) BCHEMEN1KMT2AFFAR1POLB
SCHEMBL3684545 0.75 BCHE (0.58) BCHEMEN1KMT2AFFAR1KDM4E
SCHEMBL21049912 0.74 MMP13 (0.46) FFAR1KDM4EALDH1A1
SCHEMBL28038183 0.74 CHRM2 (0.50) BCHEMEN1KMT2ACHRM2CD274

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-112424160-A Novel P62 ligand compound and composition for preventing, ameliorating or treating protein conformational diseases comprising the same 普罗泰克株式会社 2021-02-26 CN disclosed