SCHEMBL26512696

SCHEMBL26512696

COc1cc(OC)nc(-c2ccc(C3(c4ccc(N5CCSCC5)cc4)C=Cc4c5c(c6cc(OC)c(OC)cc6c4O3)-c3ccccc3C5(C)C)cc2)n1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.31
S1PR1 P21453 1/20 0.31
TLR9 Q9NR96 1/20 0.31
NTSR1 P30989 1/20 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
SCHEMBL26513058 0.94 SIRT1 (0.31)
SCHEMBL26512690 0.93 TLR9 (0.35) S1PR1TLR9
SCHEMBL26512964 0.91 NTSR1 (0.32) MTORTLR9NTSR1
SCHEMBL26512701 0.90 WHR1 (0.35) TLR9NTSR1
SCHEMBL26513274 0.87 MAPT (0.36) TLR9NTSR1
SCHEMBL26512685 0.87 GPR84 (0.33)
SCHEMBL26512680 0.87 MAPT (0.35) S1PR1TLR9
SCHEMBL26513054 0.87 MAPT (0.34)
SCHEMBL26512692 0.86 KDM4E (0.30)
SCHEMBL26512855 0.85

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