SCHEMBL26512690

SCHEMBL26512690

COc1cc(OC)nc(-c2ccc(C3(c4ccc(N5CCOCC5)cc4)C=Cc4c5c(c6cc(OC)c(OC)cc6c4O3)-c3ccccc3C5(C)C)cc2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.35
HPGD P15428 3/20 0.35
LMNA P02545 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FYN P06241 1/20 0.33
PIK3CA P42336 1/20 0.33
TTK P33981 1/20 0.33
CHEK1 O14757 1/20 0.33
HIF1A Q16665 3/20 0.32
CFTR P13569 1/20 0.32
IL2 P60568 1/20 0.32
MAP4K1 Q92918 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 2/20 0.32

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
SCHEMBL26513274 0.94 MAPT (0.36) TLR9HPGDLMNAALDH1A1MAPT
SCHEMBL26513054 0.94 MAPT (0.34) HPGDLMNAALDH1A1MAPTKDM4E
SCHEMBL26512696 0.93 MTOR (0.31) TLR9S1PR1
SCHEMBL26512680 0.92 MAPT (0.35) TLR9HPGDLMNAALDH1A1MAPT
SCHEMBL25605055 0.91 STK10 (0.36) HPGDLMNAALDH1A1MAPTKDM4E
SCHEMBL26512961 0.91 TLR9 (0.36) TLR9HPGDLMNAALDH1A1MAPT
SCHEMBL26514805 0.91 S1PR1 (0.36) TLR9HPGDLMNAALDH1A1MAPT
SCHEMBL26512626 0.90 TTK (0.35) TLR9HPGDLMNAALDH1A1MAPT
SCHEMBL29453309 0.90 STK10 (0.35) HPGDLMNAALDH1A1MAPTKDM4E
SCHEMBL1045266 0.90 STK10 (0.35) HPGDLMNAALDH1A1MAPTKDM4E

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