SCHEMBL8975749

SCHEMBL8975749

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
POLB P06746 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.36
ADORA3 P0DMS8 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
SCHEMBL8873130 0.79 ALDH1A1 (0.41) ALDH1A1POLBKDM4EMAPTCYP1A2
SCHEMBL9019944 0.78 ALDH1A1 (0.40) ALDH1A1POLBKDM4EMAPTCYP1A2
SCHEMBL9902864 0.77 SMN1; SMN2 (0.48) ALDH1A1POLBKDM4EMAPTCYP1A2
SCHEMBL9878688 0.75 EDNRB (0.44) ALDH1A1POLBCYP1A2SMN1; SMN2LMNA
SCHEMBL9701288 0.73 POLB (0.39) ALDH1A1POLBKDM4EMAPTCYP1A2
SCHEMBL577793 0.73 ALDH1A1 (0.52) ALDH1A1POLBKDM4EMAPTCYP1A2
SCHEMBL3402744 0.72 ALDH1A1 (0.40) ALDH1A1POLBKDM4EMAPTCYP1A2
SCHEMBL9368254 0.71 ALDH1A1 (0.36) ALDH1A1POLBKDM4EMAPTCYP1A2
SCHEMBL9706622 0.71 ALDH1A1 (0.43) ALDH1A1POLBKDM4EMAPTSMN1; SMN2
SCHEMBL8724571 0.70 CYP1A2 (0.46) ALDH1A1POLBKDM4EMAPTCYP1A2

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 3 patents. 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
EP-0575404-A1 HERBICIDES AgrEvo UK Limited (GB) 1993-12-29 EP disclosed
WO-1992016511-A1 HERBICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-10-01 WO disclosed