SCHEMBL28831371

SCHEMBL28831371

CNc1cc(OC)c2c(c1)OCCO2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.57
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 1/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP3A4 P08684 2/20 0.40
NPC1 O15118 6/20 0.39
RAB9A P51151 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
TSHR P16473 1/20 0.39
PKM P14618 1/20 0.38
LMNA P02545 4/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL5309009 0.82 PLK1 (0.50) PLK1ALDH1A1KDM4EPOLBTDP1
SCHEMBL11999824 0.77 PLK1 (0.54) PLK1ALDH1A1KDM4EPOLBTDP1
SCHEMBL12184928 0.75 PLK1 (0.53) PLK1ALDH1A1KDM4EPOLBTDP1
SCHEMBL27404398 0.75 MEN1 (0.38) PLK1ALDH1A1POLBMEN1KMT2A
SCHEMBL11962155 0.73 PLK1 (1.00) PLK1ALDH1A1KDM4EPOLBTDP1
SCHEMBL16503568 0.72 CYP3A4 (0.58) PLK1ALDH1A1KDM4EPOLBTDP1
SCHEMBL15032873 0.72 PLK1 (0.50) PLK1ALDH1A1KDM4EPOLBTDP1
SCHEMBL13085692 0.72 PLK1 (0.50) PLK1ALDH1A1KDM4EPOLBTDP1
SCHEMBL2796317 0.72 PLK1 (0.74) PLK1ALDH1A1KDM4EPOLBTDP1
SCHEMBL30329933 0.72 RAB9A (0.57) PLK1ALDH1A1KDM4EPOLBTDP1

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-107922396-B Colony stimulating factor-1 receptor (CSF-1R) inhibitors 建新公司 2022-08-05 CN disclosed