SCHEMBL20814385

SCHEMBL20814385

C=C(/C=C\C=C(C)C)N(c1cccc(C)c1)c1cccc(C)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ACHE P22303 2/20 0.32
▸ HSD17B1 P14061 3/20 0.32
▸ HSD17B2 P37059 3/20 0.32
▸ CHRNA1 P02708 1/20 0.31
▸ CHRNG P07510 1/20 0.31
▸ CHRNB1 P11230 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ CHRND Q07001 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL18786358 0.88 TRPM8 (0.32) SLC6A2NPC1JAK2ALDH1A1HTT
SCHEMBL18902872 0.85 SIGMAR1 (0.31) SIGMAR1ALDH1A1MAPTHPGD
SCHEMBL22250980 0.85 PDK2 (0.31) —
SCHEMBL15393671 0.80 TRPM8 (0.40) SIGMAR1LMNATDP1TP53ACHE
SCHEMBL25627313 0.79 TRPM8 (0.35) SIGMAR1TDP1TP53ACHEHSD17B1
SCHEMBL19427200 0.74 PTGIR (0.33) SLC6A2NPC1JAK2ALDH1A1HTT
SCHEMBL17246801 0.72 CYP3A4 (0.33) SLC6A2NPC1JAK2ALDH1A1HTT
SCHEMBL12957651 0.72 HSD17B1 (0.33) HSD17B1HSD17B2NPC1JAK2ALDH1A1
SCHEMBL23544437 0.71 PTGIR (0.34) SIGMAR1LMNATDP1SLC6A2NPC1
SCHEMBL22779309 0.70 NPSR1 (0.34) NPC1ALDH1A1HTTRAB9AMEN1

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-3226320-B1 ORGANIC ELECTROLUMINESCENT DEVICE BEIJING VISIONOX TECHNOLOGY CO (CN) 2019-03-13 — — EP disclosed
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