SCHEMBL8976238

SCHEMBL8976238

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
EDNRB P24530 3/20 0.37
EDNRA P25101 3/20 0.37
CYP1A2 P05177 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
AR P10275 1/20 0.33

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
SCHEMBL8975739 0.85 CYP1A2 (0.42) ALDH1A1KDM4EEDNRBEDNRACYP1A2
SCHEMBL8975830 0.83 POLB (0.37) ALDH1A1MAPTPOLBL3MBTL1SMN1; SMN2
SCHEMBL9132905 0.83 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTPOLBEDNRB
SCHEMBL8975607 0.81 KDM4E (0.42) ALDH1A1KDM4EEDNRBEDNRACYP1A2
SCHEMBL8872731 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTPOLBEDNRB
SCHEMBL8873001 0.81 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTPOLBEDNRB
SCHEMBL8871857 0.75 KDM4E (0.35) ALDH1A1KDM4EMAPTPOLBEDNRB
SCHEMBL9408481 0.70 CYP1A2 (0.50) ALDH1A1KDM4EMAPTPOLBCYP1A2
SCHEMBL8975749 0.69 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTPOLBEDNRB
SCHEMBL8873130 0.68 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTPOLBEDNRB

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