SCHEMBL18099082

SCHEMBL18099082

CO[C@@H]1[C@@H](OC)[C@H](C)O[C@@H](O/N=C/c2ccc(-c3cn(-c4ccc(Cl)cc4)cn3)cc2)[C@@H]1OC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.40
PHF8 Q9UPP1 1/20 0.34
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
NLRP3 Q96P20 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL18098981 0.92 NPC1 (0.32) MAP4K4NPC1RAB9ANLRP3
SCHEMBL19244936 0.91 MAP4K4 (0.32) MAP4K4NPC1RAB9ANLRP3
SCHEMBL18099058 0.91 NPC1 (0.31) MAP4K4NPC1RAB9ANLRP3
SCHEMBL18098852 0.91 ALDH1A1 (0.35) MAP4K4NPC1RAB9ANLRP3
SCHEMBL18098976 0.91 NPC1 (0.42) MAP4K4NPC1RAB9ANLRP3
SCHEMBL18099012 0.91 NPC1 (0.42) MAP4K4NPC1RAB9ANLRP3
SCHEMBL18098949 0.89 TLR2 (0.33)
SCHEMBL18098966 0.89
SCHEMBL18098974 0.89 TLR2 (0.33)
SCHEMBL18098975 0.87

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