SCHEMBL28649883

SCHEMBL28649883

C=CC(=O)N(C)CCC(C)N(CC)CC

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL410346 0.81 TSHR (0.36) ZDHHC20ZDHHC2ALDH1A1TSHR
SCHEMBL990607 0.79 TSHR (0.31) ZDHHC20ZDHHC2ALDH1A1TSHR
SCHEMBL14413490 0.79 ZDHHC20 (0.30) ZDHHC20ZDHHC2
SCHEMBL27695605 0.76 GABRR1 (0.41)
SCHEMBL3255350 0.76 ALDH1A1 (0.38) ZDHHC20ZDHHC2ALDH1A1TSHR
SCHEMBL24363224 0.75 GABBR2 (0.31)
SCHEMBL308561 0.74
SCHEMBL329191 0.74
SCHEMBL27695554 0.74
SCHEMBL27695859 0.74 ZDHHC20 (0.30) ZDHHC20ZDHHC2

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-113661072-A Rubber composition and method for producing rubber composition 瑞住合成橡胶株式会社 2021-11-16 CN disclosed