SCHEMBL28655841

SCHEMBL28655841

C=C1CCCC(C2c3ccccc3-c3ccccc32)C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.36
BCHE P06276 1/20 0.36
IDO1 P14902 2/20 0.35
TDO2 P48775 1/20 0.35
CHRNA7 P36544 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
PRCP P42785 2/20 0.33
CYP11B2 P19099 1/20 0.33
HTR2A P28223 1/20 0.32

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
SCHEMBL28650403 0.79 ACHE (0.36) ACHEBCHEIDO1TDO2CYP1A2
SCHEMBL23704622 0.77 BCHE (0.52) ACHEBCHEIDO1TDO2CYP1A2
SCHEMBL8416138 0.77 BCHE (0.52) ACHEBCHEIDO1TDO2CYP1A2
SCHEMBL23832790 0.68 CHRNB2 (0.38) ACHEBCHEPRCPHTR2A
SCHEMBL29950614 0.66 GPR3 (0.50) ACHEBCHECYP1A2CYP2D6HTR2A
SCHEMBL524603 0.66 GPR3 (0.50) ACHEBCHECYP1A2CYP2D6HTR2A
SCHEMBL11391882 0.66 HTR2C (0.46) SIGMAR1
SCHEMBL30567955 0.66 HTR2C (0.46) SIGMAR1
SCHEMBL28946001 0.66 SLC18A3 (0.44) ACHEBCHEIDO1TDO2SIGMAR1
SCHEMBL29988938 0.65 ALDH1A1 (0.41) ACHEBCHEIDO1TDO2PRCP

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-108137443-B Fluorene derivative, photopolymerization initiator containing same, and photoresist composition 克美 2021-06-08 CN disclosed