SCHEMBL28188802

SCHEMBL28188802

CCCCC(CC)(CO)NCC

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.32
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
SCHEMBL28189372 0.92 HRH3 (0.37) HRH3ALDH1A1
SCHEMBL27566071 0.91 ALDH1A1 (0.33) HRH3ALDH1A1
SCHEMBL8499691 0.83 LMNA (0.39) HRH3ALDH1A1
SCHEMBL7197318 0.81
SCHEMBL5050617 0.77 SMN1; SMN2 (0.38) ALDH1A1
SCHEMBL28726715 0.77 TSHR (0.32)
SCHEMBL27937919 0.77
SCHEMBL2349676 0.75 ALDH1A1 (0.31) ALDH1A1
SCHEMBL29516290 0.73 HTT (0.30)
SCHEMBL1939460 0.73 TSHR (0.35) HRH3ALDH1A1

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-105339341-B Production system for (meth) acrylic acid ester 大阪有机化学工业株式会社 2018-02-13 CN disclosed