SCHEMBL30483436

SCHEMBL30483436

CC(=CN(C)c1ccccc1)CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.36
▸ LMNA P02545 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ LTB4R2 Q9NPC1 1/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ESRRB O95718 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32

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
SCHEMBL18947245 0.74 MEN1 (0.39) LMNAALDH1A1RAB9AHPGDMAPT
SCHEMBL20414290 0.69 FAAH (0.40) LMNAALDH1A1TP53SMN1; SMN2LTB4R2
SCHEMBL28147365 0.68 ALDH1A1 (0.48) LMNAALDH1A1RAB9AHPGDMAPT
SCHEMBL24247567 0.67 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL8030137 0.67 AOC3 (0.41) TRPA1LMNAALDH1A1TP53SMN1; SMN2
SCHEMBL13240769 0.67 KMT2A (0.51) LMNAALDH1A1TP53SMN1; SMN2LTB4R2
SCHEMBL27390019 0.67 AOC3 (0.41) LMNAALDH1A1TP53SMN1; SMN2LTB4R2
SCHEMBL21902170 0.66 ALDH1A1 (0.35) ALDH1A1
SCHEMBL5773977 0.66 NPSR1 (0.41) ALDH1A1TP53RAB9AHPGDMAPT
SCHEMBL20419648 0.66 FAAH (0.40) LMNAALDH1A1TP53SMN1; SMN2HPGD

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
CN-111051361-B Rubber composition 株式会社LG化学 2023-06-20 — — CN disclosed
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