SCHEMBL8975830

SCHEMBL8975830

CCOC(=O)C(F)(c1nc(OC)nc(OC)n1)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.37
ALDH1A1 P00352 4/20 0.36
CTSK P43235 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
MMP8 P22894 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 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
SCHEMBL8976238 0.83 ALDH1A1 (0.38) POLBALDH1A1SMN1; SMN2L3MBTL1HSD17B10
SCHEMBL8975746 0.73 L3MBTL1 (0.34) ALDH1A1L3MBTL1KMT2ANPSR1MAPT
SCHEMBL9524120 0.71 MEN1 (0.32) KMT2ANPSR1MAPT
SCHEMBL9930152 0.66 MMP8 (0.43) POLBALDH1A1MMP8GAAKMT2A
SCHEMBL14504422 0.66 MMP8 (0.43) POLBALDH1A1MMP8GAAKMT2A
SCHEMBL9132905 0.65 ALDH1A1 (0.40) POLBALDH1A1SMN1; SMN2MAPT
SCHEMBL12552335 0.64 MMP8 (0.46) POLBALDH1A1TSHRMMP8GAA
SCHEMBL954289 0.62 MMP8 (0.43) POLBALDH1A1MMP8GAAKMT2A
SCHEMBL30032517 0.62 POLB (0.41) POLBALDH1A1SMN1; SMN2TSHRMMP8
SCHEMBL11795513 0.62 POLB (0.48) POLBALDH1A1SMN1; SMN2TSHRKMT2A

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-5502028-A Herbicidal pyrimidinyl or triazinyl haloacetic acid derivatives SCHERING AGROCHEMICALS LIMITED (GB) 1996-03-26 US disclosed