SCHEMBL30161609

SCHEMBL30161609

CCOc1ccccc1-c1cccc2c1-c1ccccc1C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
PDK2 Q15119 1/20 0.40
PTPRC P08575 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
TTR P02766 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PPARG P37231 1/20 0.38
STAT3 P40763 1/20 0.38
NCOA2 Q15596 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38

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
SCHEMBL28959455 1.00 ALDH1A1 (0.44) ALDH1A1HTR2AHTR2CPDK2PTPRC
SCHEMBL31290770 0.90 ALDH1A1 (0.46) ALDH1A1HTR2AHTR2CPDK2PTPRC
SCHEMBL28989984 0.82 PNMT (0.47) ALDH1A1HTR2AHTR2CPDK2PTPRC
SCHEMBL31651499 0.81 LMNA (0.41) ALDH1A1HTR2AHTR2CKMT2AKDM4E
SCHEMBL30267480 0.80 ALDH1A1 (0.41) ALDH1A1HTR2AHTR2CPTPRCMEN1
SCHEMBL198911 0.78 ALDH1A1 (0.60) ALDH1A1PTPRCNPSR1TTRMAPT
SCHEMBL28004757 0.78 MAOA (0.54) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL30444839 0.78 ALDH1A1 (0.51) ALDH1A1HTR2AMEN1GAAKMT2A
SCHEMBL577423 0.77 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL28066660 0.77 PNMT (0.49) ALDH1A1HTR2AHTR2CPDK2PTPRC

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-115735143-A Polarizing plate with adhesive layer 住友化学株式会社 2023-03-03 CN disclosed