SCHEMBL29136446

SCHEMBL29136446

CCCCCCCCCCCN1CCC(OC(=O)OC2CCN(CCCCCCCCCCC)C(C)(C)C2(C)C)C(C)(C)C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.36
NAAA Q02083 2/20 0.34
GBA1 P04062 1/20 0.34
CHRM3 P20309 4/20 0.33
GNAI3 P08754 2/20 0.33
GNAO1 P09471 2/20 0.33
GNAI1 P63096 2/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL28480078 0.80 TSHR (0.36)
SCHEMBL28968664 0.78 CES2 (0.36) NAAA
SCHEMBL29050692 0.76 NAAA (0.43) NAAAGNAI3GNAO1GNAI1
SCHEMBL29028694 0.76 GBA1 (0.39) BCHEGBA1GNAI3GNAO1GNAI1
SCHEMBL15569601 0.74 NAAA (0.49) NAAAGNAI3GNAO1GNAI1
SCHEMBL29050690 0.69 S1PR5 (0.36) NAAA
SCHEMBL2063231 0.68 NAAA (0.45) NAAA
SCHEMBL482830 0.67 SMN1; SMN2 (0.42) NAAA
SCHEMBL28985942 0.66 SMN1; SMN2 (0.39) NAAA
SCHEMBL7526280 0.65 NAAA (0.37) BCHENAAACHRM3

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
CN-117836121-A Thermoplastic resin composition, method for producing molded body, and molded body 株式会社艾迪科 2024-04-05 CN disclosed
CN-117120486-A Compound and method for producing same, polymerizable composition, polymer, hologram recording medium, optical material, and optical member 三菱化学株式会社 2023-11-24 CN disclosed