SCHEMBL31039636

SCHEMBL31039636

CC1C2=C(CCCC2[Ti](C)(C)C)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.31
DRD2 P14416 4/20 0.30
DRD4 P21917 4/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
ADRA2C P18825 1/20 0.30
PTGS2 P35354 1/20 0.30
HRH1 P35367 1/20 0.30
HTR3A P46098 1/20 0.30
PDE4D Q08499 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
SCHEMBL6250424 1.00 GPR3 (0.31) GPR3DRD2DRD4BCHEACHE
SCHEMBL28429503 0.87
SCHEMBL6253720 0.83 ADRA2C (0.30) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL31039634 0.83 ADRA2C (0.30) ADRA2CPTGS2HRH1HTR3APDE4D
SCHEMBL6252946 0.82 PARP1 (0.32) GPR3DRD2DRD4BCHEACHE
SCHEMBL8419247 0.80 HTR2A (0.33)
Hydrochloric Acid SCHEMBL31039632 0.79 GPR3 (0.30) GPR3
Hydrochloric Acid SCHEMBL6250421 0.79 GPR3 (0.30) GPR3
SCHEMBL30150731 0.78
SCHEMBL2232944 0.72

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-111433231-B Method for producing styrene resin and styrene resin molded body 出光兴产株式会社 2024-07-16 CN disclosed