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SCHEMBL18099063

SCHEMBL18099063

CCO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](OC(=O)Nc2ccc(C3=NOC(c4ccc(C(F)(F)F)cc4)C3)cc2)[C@@H]1OC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 10/20 0.42
▸ HTT P42858 1/20 0.40
▸ PPARG P37231 3/20 0.36
▸ PPARA Q07869 3/20 0.36
▸ RHOC P08134 1/20 0.34
▸ RHOA P61586 1/20 0.34
▸ MIF P14174 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL18099067 1.00 S1PR1 (0.42) S1PR1HTTPPARGPPARARHOC
SCHEMBL18098915 0.91 KMT2A (0.44) S1PR1PPARGPPARAMIFMEN1
SCHEMBL18099084 0.91 KMT2A (0.44) S1PR1PPARGPPARAMIFMEN1
SCHEMBL13246603 0.80 KMT2A (0.37) HTTPPARAMEN1KMT2ASMN1; SMN2
SCHEMBL13246688 0.80 MAOB (0.38) MEN1KMT2A
SCHEMBL18098881 0.77 ABCG2 (0.37) SMN1; SMN2
SCHEMBL18098921 0.77 ACHE (0.35) MEN1KMT2ASMN1; SMN2
SCHEMBL1259192 0.76 S1PR1 (0.51) S1PR1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL18098920 0.75 SMN1; SMN2 (0.36) MEN1KMT2ASMN1; SMN2
SCHEMBL18099049 0.75 SMN1; SMN2 (0.36) MEN1KMT2ASMN1; 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 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