SCHEMBL28787994

SCHEMBL28787994

CC(C)c1ccc([CH]C(C)(C)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.50
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 2/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL17846281 0.73 PTGS1 (0.44) PTGS1PTGS2LMNA
SCHEMBL14047003 0.72 TYR (0.58) TYRMAPK1KDM4EGRIN2DGRIN3B
SCHEMBL9255527 0.72 TYR (0.58) TYRMAPK1KDM4EGRIN2DGRIN3B
SCHEMBL4779835 0.71 CYP2D6 (0.48) TYRMAPK1KDM4EPTGS1CYP2C9
SCHEMBL23918549 0.71 TYR (0.64) TYRMAPK1KDM4EGRIN2DGRIN3B
SCHEMBL8073887 0.71 TYR (0.64) TYRMAPK1KDM4EGRIN2DGRIN3B
SCHEMBL30075786 0.71 TYR (0.64) TYRMAPK1KDM4EGRIN2DGRIN3B
SCHEMBL565578 0.70 CYP2C9 (0.57) TYRMAPK1KDM4EPTGS1CYP2C9
Hydrogen Peroxide SCHEMBL20915049 0.69 TYR (0.55) TYRMAPK1KDM4EPTGS1CYP2C9
Hydrogen Peroxide SCHEMBL461155 0.69 TYR (0.55) TYRMAPK1KDM4EPTGS1CYP2C9

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
CN-114752254-A Photo-curing ink, patterning method and packaging structure 财团法人工业技术研究院 2022-07-15 CN claimed
CN-114752254-A Photo-curing ink, patterning method and packaging structure 财团法人工业技术研究院 2022-07-15 CN disclosed