SCHEMBL30839895

SCHEMBL30839895

Cc1[nH]c2ccccc2c1C1OC(=O)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CGAS Q8N884 3/20 0.52
CDK19 Q9BWU1 1/20 0.52
ALK Q9UM73 1/20 0.52
ALDH1A1 P00352 2/20 0.47
MGAM O43451 2/20 0.41
GAA P10253 2/20 0.41
SI P14410 2/20 0.41
MGAM2 Q2M2H8 2/20 0.41
AHR P35869 1/20 0.41
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.40
CCR6 P51684 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
DAO P14920 1/20 0.39
DDO Q99489 1/20 0.39

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
SCHEMBL4597661 1.00 CGAS (0.52) CGASCDK19ALKALDH1A1MGAM
SCHEMBL11640715 0.82 ALDH1A1 (0.48) CGASCDK19ALKALDH1A1MAPT
SCHEMBL3881114 0.82 ALDH1A1 (0.50) CGASCDK19ALKALDH1A1MAPK1
SCHEMBL30557434 0.82 ALDH1A1 (0.50) CGASCDK19ALKALDH1A1MAPK1
SCHEMBL11098143 0.80 GAA (0.41) ALDH1A1MGAMGAASIMGAM2
SCHEMBL30404528 0.79 CGAS (0.47) CGASCDK19ALKALDH1A1MAPT
SCHEMBL4651008 0.79 CGAS (0.47) CGASCDK19ALKALDH1A1MAPT
SCHEMBL3362866 0.76 KDM4E (0.44) ALDH1A1GAAKDM4ETDP1HTT
SCHEMBL8608534 0.75 CGAS (0.43) CGASCDK19ALKALDH1A1GAA
SCHEMBL10689948 0.74 MAPT (0.50) ALDH1A1GAAMAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117836375-A Color-changing material and color-changing colorant 株式会社松井色素化学工业所 2024-04-05 CN disclosed