SCHEMBL8420546

SCHEMBL8420546

CC(C)(C)c1cc(C(=O)c2ccccc2)c(O)c(C(C)(C)C)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 1/20 0.48
BCL2 P10415 1/20 0.48
MCL1 Q07820 1/20 0.48
PTGS2 P35354 4/20 0.44
ALOX5 P09917 3/20 0.44
PTGS1 P23219 2/20 0.44
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
GLRA3 O75311 1/20 0.42
GLRB P48167 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
LMNA P02545 2/20 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
SCHEMBL28762390 0.89 TNFRSF1A (0.47) TNFRSF1ABCL2MCL1PTGS2ALOX5
SCHEMBL10868061 0.88 TNFRSF1A (0.46) TNFRSF1ABCL2MCL1PTGS2ALOX5
SCHEMBL11211507 0.83 BCL2 (0.47) TNFRSF1ABCL2MCL1PTGS2ALOX5
SCHEMBL28688010 0.83 MAPT (0.50) TNFRSF1ABCL2MCL1MEN1USP2
SCHEMBL28836082 0.80 BCL2 (0.47) TNFRSF1ABCL2MCL1PTGS2ALOX5
SCHEMBL27716443 0.80 GLRA3 (0.55) TNFRSF1AMEN1GAAKMT2AGLRA3
SCHEMBL9444896 0.79 TDP1 (0.41) TNFRSF1ABCL2MCL1PTGS2ALOX5
SCHEMBL9135750 0.78 PTGS2 (0.63) TNFRSF1APTGS2ALOX5PTGS1MEN1
SCHEMBL4113584 0.78 GLRA3 (0.54) TNFRSF1ABCL2MCL1PTGS2ALOX5
SCHEMBL9419560 0.78 LMNA (0.54) BCL2MCL1PTGS2ALOX5PTGS1

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
EP-0941294-A2 ACRYLIC-MELAMINE-FUNCTIONALIZED OLIGOMER COATING COMPOSITION E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-09-15 EP disclosed
WO-1998024856-A2 NON AQUEOUS COATING COMPOSITION COMPRISING A CROSSLINKABLE OLIGOMER E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-06-11 WO disclosed