SCHEMBL29940237

SCHEMBL29940237

CC(C)CC(C)CN=NCC(C)CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
THPO P40225 1/20 0.33
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ANPEP P15144 3/20 0.31
LAP3 P28838 2/20 0.31
ERAP1 Q9NZ08 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
SCHEMBL25037279 0.77
SCHEMBL599901 0.73 TSHR (0.47) TSHRALDH1A1MAPK1CYP3A4CYP2D6
SCHEMBL31380967 0.70 TSHR (0.44) TSHRALDH1A1MAPK1CYP3A4CYP2D6
SCHEMBL1487502 0.70 TRPA1 (0.42) TSHR
SCHEMBL17274592 0.70 TSHR (0.44) TSHRALDH1A1MAPK1CYP3A4CYP2D6
SCHEMBL23846021 0.70 TSHR (0.44) TSHRALDH1A1MAPK1CYP3A4CYP2D6
SCHEMBL19819960 0.70 TSHR (0.44) TSHRALDH1A1MAPK1CYP3A4CYP2D6
SCHEMBL166950 0.70 TRPA1 (0.42) TSHR
SCHEMBL7745657 0.70 TSHR (0.33) TSHR
SCHEMBL3835261 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113678038-B Method for manufacturing plastic optical fiber 日东电工株式会社 2024-07-09 CN disclosed
CN-117083818-A Optical transmission system, optical transmission path, and photoelectric composite cable 小池康博 2023-11-17 CN disclosed
CN-111868593-B Integrally formed multi-light transmission sheet, integrally formed multi-light transmission sheet connector and manufacturing method thereof 小池康博 2022-09-27 CN disclosed