SCHEMBL26512968

SCHEMBL26512968

CCC1(CC)c2ccccc2-c2c1c1c(c3cc(OC)c(OC)cc23)OC(c2ccc(-c3nc(-c4ccccc4)c4ccccc4n3)cc2)(c2ccc(N3CCOCC3)cc2)C=C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 2/20 0.36
MAPK1 P28482 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
USP2 O75604 2/20 0.36
CYP2D6 P10635 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
MAPT P10636 4/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TLR9 Q9NR96 2/20 0.35
WHR1 P49842 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HIF1A Q16665 1/20 0.35
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL26512966 0.94 NTSR1 (0.35) NTSR1MAPTTLR9WHR1KDM4E
SCHEMBL26513292 0.94 NTSR1 (0.36) NTSR1MAPK1CYP1A2CYP3A4USP2
SCHEMBL26512858 0.93 MAPT (0.38) MAPK1CYP1A2CYP3A4USP2CYP2D6
SCHEMBL26512972 0.92 MAPT (0.34) NTSR1MAPK1CYP1A2CYP3A4USP2
SCHEMBL26512704 0.92 MAPK1 (0.37) NTSR1MAPK1CYP1A2CYP3A4USP2
SCHEMBL26512961 0.90 TLR9 (0.36) NTSR1MAPK1CYP1A2CYP3A4USP2
SCHEMBL26512887 0.90 NTSR1 (0.35) NTSR1MAPK1CYP1A2CYP3A4USP2
SCHEMBL26512953 0.89 TLR9 (0.34) NTSR1MAPK1CYP1A2CYP3A4USP2
SCHEMBL26512969 0.89 WHR1 (0.38) MAPK1CYP1A2CYP3A4USP2CYP2D6
SCHEMBL26628853 0.88 STK10 (0.34) MAPK1CYP1A2CYP3A4USP2CYP2D6

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