SCHEMBL26512966

SCHEMBL26512966

CCC1(CC)c2ccccc2-c2c1c1c(c3cc(OC)c(OC)cc23)OC(c2ccc(-c3nc(-c4ccccc4)c4ccccc4n3)cc2)(c2ccc(N3CCSCC3)cc2)C=C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 4/20 0.35
WHR1 P49842 1/20 0.34
SIRT1 Q96EB6 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
KDM4E B2RXH2 1/20 0.32
STAT6 P42226 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 1/20 0.31
TLR9 Q9NR96 2/20 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
SCHEMBL26512968 0.94 NTSR1 (0.36) NTSR1WHR1SIRT1ABCG2KDM4E
SCHEMBL26512856 0.93 TLR9 (0.32) SIRT1ABCG2NPSR1MAPTTLR9
SCHEMBL26512701 0.92 WHR1 (0.35) NTSR1WHR1SIRT1ABCG2KDM4E
SCHEMBL26512964 0.90 NTSR1 (0.32) NTSR1TLR9
SCHEMBL26512969 0.88 WHR1 (0.38) WHR1ABCG2KDM4EMAPT
SCHEMBL26513292 0.87 NTSR1 (0.36) NTSR1KDM4ESTAT6NPSR1MAPT
SCHEMBL26512855 0.87
SCHEMBL26512858 0.86 MAPT (0.38) KDM4ENPSR1MAPTTLR9
SCHEMBL26512972 0.86 MAPT (0.34) NTSR1WHR1KDM4EMAPT
SCHEMBL26512704 0.86 MAPK1 (0.37) NTSR1WHR1SIRT1ABCG2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230323197-A1 PHOTOCHROMIC COMPOUND, PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE AND SPECTACLES HOYA LENS THAILAND LTD. (TH) 2023-10-12 US disclosed
US-20230323197-A1 PHOTOCHROMIC COMPOUND, PHOTOCHROMIC COMPOSITION, PHOTOCHROMIC ARTICLE AND SPECTACLES HOYA LENS THAILAND LTD. (TH) 2023-10-12 US disclosed