SCHEMBL8975739

SCHEMBL8975739

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
AR P10275 1/20 0.36
EDNRB P24530 6/20 0.35
EDNRA P25101 6/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL8975607 0.86 KDM4E (0.42) CYP1A2KDM4EALDH1A1EDNRBEDNRA
SCHEMBL8976238 0.85 ALDH1A1 (0.38) CYP1A2KDM4EALDH1A1AREDNRB
SCHEMBL8975735 0.72 EDNRB (0.47) CYP1A2KDM4EALDH1A1EDNRBEDNRA
SCHEMBL9159449 0.71 KDM4E (0.43) CYP1A2KDM4EALDH1A1AREDNRB
SCHEMBL9132905 0.70 ALDH1A1 (0.40) CYP1A2KDM4EALDH1A1AREDNRB
SCHEMBL9352927 0.68 CYP1A2 (0.38) CYP1A2KDM4EALDH1A1AREDNRB
SCHEMBL8872731 0.68 ALDH1A1 (0.41) CYP1A2KDM4EALDH1A1EDNRBEDNRA
SCHEMBL8873001 0.68 ALDH1A1 (0.38) CYP1A2KDM4EALDH1A1EDNRBEDNRA
SCHEMBL9125386 0.67 CYP1A2 (0.44) CYP1A2KDM4EALDH1A1ARLMNA
SCHEMBL6826490 0.67 LMNA (0.35) CYP1A2EDNRBEDNRALMNASMN1; SMN2

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