SCHEMBL29248293

SCHEMBL29248293

[SiH3]C1C=C(c2ccccc2)CCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
SLC18A3 Q16572 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
HRH2 P25021 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
HTR2C P28335 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
SCHEMBL8187300 0.75 SLC18A3 (0.39) ALDH1A1ALOX15TSHRSLC18A3CHRNB4
SCHEMBL31146753 0.75 SLC18A3 (0.39) ALDH1A1ALOX15TSHRSLC18A3CHRNB4
SCHEMBL23614560 0.75 CYP11B2 (0.33) ALDH1A1ALOX15TSHRSLC18A3CHRNB4
SCHEMBL23532516 0.71 HRH2 (0.35) CHRNB4CHRNA3HRH2HRH3
SCHEMBL11517610 0.71 SLC18A3 (0.33) SLC18A3NOS3NOS1NOS2
SCHEMBL24228853 0.71 JAK2 (0.35) ALDH1A1SLC18A3HRH2HRH3
SCHEMBL13264346 0.65 KDM1A (0.38) ALDH1A1SIGMAR1
SCHEMBL733324 0.65 SLC18A3 (0.38) ALDH1A1SLC18A3SIGMAR1HTR2C
SCHEMBL8686265 0.64 CHRNB4 (0.44) ALDH1A1TSHRCHRNB4CHRNA3SIGMAR1
SCHEMBL8686264 0.64 CHRNB4 (0.44) ALDH1A1TSHRCHRNB4CHRNA3SIGMAR1

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-118318010-A Coupling agents containing silicon and zinc for cellulosic material-polymer composites 阿科玛股份有限公司 2024-07-09 CN claimed
CN-118318010-A Coupling agents containing silicon and zinc for cellulosic material-polymer composites 阿科玛股份有限公司 2024-07-09 CN disclosed