SCHEMBL23765199

SCHEMBL23765199

OC1C(CCCc2ccccc2)=Cc2cccc3cccc1c23

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.34
HTR2A P28223 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
SLC5A2 P31639 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC3 O15379 1/20 0.33
MAPK1 P28482 1/20 0.33
ADRA1A P35348 1/20 0.33
HDAC4 P56524 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 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
Ethylene SCHEMBL27501421 0.78 KCNH2 (0.36) HTR2ASLC6A3KDM4EALDH1A1
SCHEMBL5188986 0.74 KCNH2 (0.35) SMN1; SMN2MAPTKDM4EALDH1A1GAA
SCHEMBL28085016 0.72 GABRA1 (0.30)
SCHEMBL4563908 0.72 MEN1 (0.35) SMN1; SMN2MAPK1MAPTKDM4EALDH1A1
SCHEMBL19415778 0.71 MC4R (0.36)
SCHEMBL19427071 0.69 MC4R (0.35)
SCHEMBL10644406 0.68 TSHR (0.36) MAPK1MAPTKDM4EALDH1A1GAA
SCHEMBL28312582 0.68 HTR6 (0.36) SIGMAR1SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL19427076 0.68
SCHEMBL28876970 0.67 HTR5A (0.31)

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
EP-3225112-B1 PHOTOSENSITISER DISPERSION AND USE OF THE SAME TRIOPTOTEC GMBH (DE) 2021-08-18 EP disclosed