SCHEMBL9255527

SCHEMBL9255527

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.58
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GRIN2D O15399 2/20 0.48
GRIN3B O60391 2/20 0.48
GRIN1 Q05586 2/20 0.48
GRIN2A Q12879 2/20 0.48
GRIN2B Q13224 2/20 0.48
GRIN2C Q14957 2/20 0.48
GRIN3A Q8TCU5 2/20 0.48
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
CYP2C9 P11712 2/20 0.42
ALDH1A1 P00352 3/20 0.41

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
SCHEMBL8073887 0.78 TYR (0.64) TYRMAPK1KDM4EGRIN2DGRIN3B
SCHEMBL23918549 0.78 TYR (0.64) TYRMAPK1KDM4EGRIN2DGRIN3B
SCHEMBL30075786 0.78 TYR (0.64) TYRMAPK1KDM4EGRIN2DGRIN3B
Hydrogen Peroxide SCHEMBL182135 0.76 TYR (0.55) TYRMAPK1KDM4EPTGS1SMN1; SMN2
Hydrogen Peroxide SCHEMBL20915049 0.76 TYR (0.55) TYRMAPK1KDM4EPTGS1SMN1; SMN2
Hydrogen Peroxide SCHEMBL461155 0.76 TYR (0.55) TYRMAPK1KDM4EPTGS1SMN1; SMN2
SCHEMBL104124 0.76 TYR (0.58) TYRMAPK1KDM4EPTGS1NPC1
SCHEMBL139407 0.76 TYR (0.61) TYRMAPK1KDM4EGRIN2DGRIN3B
SCHEMBL9637970 0.75 TYR (0.54) TYRMAPK1KDM4EGRIN2DGRIN3B
SCHEMBL12027409 0.75 TYR (0.54) TYRMAPK1KDM4EGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5455262-A Treating arthritis, tumor metastasis, periodontal disease, corneal ulceration, bone resorption diseases, glomerular diseases FLORIDA STATE UNIVERSITY (US) 1995-10-03 US disclosed
EP-0071126-B1 PROCESS FOR THE MANUFACTURE OF ALDEHYDES BAYER AG (DE) 1984-09-12 EP disclosed
EP-0071126-A1 Process for the manufacture of aldehydes BAYER AG (DE) 1983-02-09 EP disclosed