SCHEMBL26512972

SCHEMBL26512972

CCC1(CC)c2ccccc2-c2c1c1c(c3cc(OC)c(OC)cc23)OC(c2ccc(N3CCOCC3)cc2)(c2nc(-c3ccccc3)c3ccccc3n2)C=C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.34
KDM4E B2RXH2 4/20 0.34
MAPK1 P28482 2/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
PIK3CA P42336 3/20 0.33
ALDH1A1 P00352 3/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CB P42338 2/20 0.33
HPGD P15428 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHEK1 O14757 2/20 0.33
TTK P33981 1/20 0.33
EGFR P00533 1/20 0.33
LMNA P02545 3/20 0.32
MEN1 O00255 1/20 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
SCHEMBL26512868 0.93 MAPT (0.35) MAPTKDM4EMAPK1PIK3CAALDH1A1
SCHEMBL26512968 0.92 NTSR1 (0.36) MAPTKDM4EMAPK1USP2CYP1A2
SCHEMBL26512714 0.92 PIK3CA (0.36) MAPTKDM4EMAPK1USP2CYP1A2
SCHEMBL26512893 0.91 KDM4E (0.35) MAPTKDM4EMAPK1USP2CYP1A2
SCHEMBL26512887 0.91 NTSR1 (0.35) MAPTKDM4EMAPK1USP2CYP1A2
SCHEMBL26512907 0.89 STK10 (0.33) MAPTKDM4EMAPK1USP2CYP1A2
SCHEMBL26512971 0.89 KDM4E (0.31) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL26512919 0.88 PIK3CA (0.34) MAPTKDM4EMAPK1USP2CYP1A2
SCHEMBL26628853 0.88 STK10 (0.34) MAPTKDM4EMAPK1USP2CYP1A2
SCHEMBL25605185 0.88 STK10 (0.35) MAPTKDM4EPIK3CAALDH1A1HPGD

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