SCHEMBL18098917

SCHEMBL18098917

CCO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](OC(=O)Nc2ccc(-c3ncn(-c4ccc(OC(F)(F)C(F)(F)C(F)(F)F)cc4)n3)cc2)[C@@H]1OC

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
CYP3A4 P08684 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
ESR2 Q92731 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL10316169 0.96 MAPT (0.33) MAPTCYP3A4ABCG2MEN1POLB
SCHEMBL10316170 0.96 MAPT (0.33) MAPTCYP3A4ABCG2MEN1POLB
SCHEMBL18099057 0.95 ABCG2 (0.31) MAPTCYP3A4ABCG2
SCHEMBL18098901 0.93 MAPT (0.36) MAPTPOLBL3MBTL1
SCHEMBL16079290 0.93 MAPT (0.36) MAPTPOLBL3MBTL1
SCHEMBL26266370 0.91 ABCG2 (0.32) MAPTCYP3A4ABCG2POLB
SCHEMBL16078914 0.91 ABCG2 (0.32) MAPTCYP3A4ABCG2POLB
SCHEMBL18098871 0.91 MAPT (0.35) MAPTCYP3A4ABCG2MEN1POLB
SCHEMBL18099074 0.90 ABCG2 (0.34) MAPTCYP3A4ABCG2
SCHEMBL29658131 0.90 ABCG2 (0.34) MAPTCYP3A4ABCG2

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
EP-2247603-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-09-28 EP disclosed