SCHEMBL25627313

SCHEMBL25627313

C=C/C=C\C(=C)N(c1ccc(C)cc1)c1cccc(C)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ HSD17B1 P14061 4/20 0.35
▸ HSD17B2 P37059 4/20 0.35
▸ TP53 P04637 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.32
▸ PTGIR P43119 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GPX4 P36969 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ PAX8 Q06710 1/20 0.31
▸ ACHE P22303 2/20 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
SCHEMBL15393671 0.90 TRPM8 (0.40) TRPM8HSD17B1HSD17B2TP53TDP1
SCHEMBL20814385 0.79 SIGMAR1 (0.33) HSD17B1HSD17B2TP53TDP1SIGMAR1
SCHEMBL13119958 0.78 NPSR1 (0.40) TRPM8TDP1NPC1ALDH1A1RAB9A
SCHEMBL19427200 0.78 PTGIR (0.33) TRPM8PTGIRNPC1ALDH1A1RAB9A
SCHEMBL25894335 0.77 PTGIR (0.36) TRPM8TP53TDP1SIGMAR1PTGIR
SCHEMBL14040118 0.77 HSD17B1 (0.36) TRPM8HSD17B1HSD17B2TP53TDP1
SCHEMBL17246801 0.76 CYP3A4 (0.33) TRPM8PTGIRNPC1ALDH1A1RAB9A
SCHEMBL23544437 0.75 PTGIR (0.34) TRPM8TDP1SIGMAR1PTGIRNPC1
SCHEMBL18786358 0.75 TRPM8 (0.32) TRPM8PTGIRNPC1ALDH1A1RAB9A
SCHEMBL12957651 0.75 HSD17B1 (0.33) TRPM8HSD17B1HSD17B2PTGIRNPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023106405-A1 COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC ELECTRONIC DEVICE 国立大学法人大阪大学 2023-06-15 — — WO disclosed
WO-2023106404-A1 POLYMER COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC ELECTRONIC DEVICE 国立大学法人大阪大学 2023-06-15 — — WO disclosed
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