SCHEMBL25895017

SCHEMBL25895017

CCOc1ccc(C2(c3ccc(OCCO)c(-c4ccccc4)c3)c3ccccc3-c3ccccc32)cc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ADRB2 P07550 3/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A9 P48067 1/20 0.39
ADRB1 P08588 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDK2 Q15119 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
THRA P10827 1/20 0.37

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
SCHEMBL29450638 0.94 HTR7 (0.43) HTR7ESR1ESR2KDM4EALDH1A1
SCHEMBL383247 0.94 HTR7 (0.43) HTR7ESR1ESR2KDM4EALDH1A1
SCHEMBL31734575 0.94 HTR7 (0.43) HTR7ESR1ESR2KDM4EALDH1A1
SCHEMBL29360927 0.94 HTR7 (0.43) HTR7ESR1ESR2KDM4EALDH1A1
SCHEMBL22080937 0.89 ADRB2 (0.44) HTR7ESR1ESR2KDM4EALDH1A1
SCHEMBL26983400 0.88 MEN1 (0.44) HTR7ESR1ESR2KDM4EALDH1A1
SCHEMBL21215140 0.88 ADRB2 (0.47) HTR7ESR1ESR2KDM4EALDH1A1
SCHEMBL26103360 0.88 PDK2 (0.46) HTR7ESR1ESR2KDM4EALDH1A1
SCHEMBL29441934 0.88 ADRB2 (0.47) HTR7ESR1ESR2KDM4EALDH1A1
SCHEMBL27113675 0.86 SLC6A9 (0.44) HTR7ESR1ESR2KDM4EALDH1A1

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
US-20230192951-A1 POLYCARBONATE RESIN, AND OPTICAL LENS AND OPTICAL FILM USING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-06-22 US disclosed