SCHEMBL873197

SCHEMBL873197

CCCCc1cc(C(C)C(=O)NCNC(=O)C(C)c2cc(CCCC)c(O)c(CCCC)c2)cc(CCCC)c1O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.39
TRPV1 Q8NER1 2/20 0.35
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35
TYR P14679 1/20 0.35
ALOX5 P09917 4/20 0.34
FFAR1 O14842 1/20 0.34
PTGS2 P35354 3/20 0.33
GLI1 P08151 1/20 0.33
GLI2 P10070 1/20 0.33
MAOA P21397 1/20 0.32
NAAA Q02083 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
SCHEMBL14293919 0.90 TRPV1 (0.39) EGFRTRPV1ERCC1ERCC4PTGS2
SCHEMBL1629294 0.88 EGFR (0.41) EGFRTYRALOX5FFAR1PTGS2
SCHEMBL4854736 0.81 EGFR (0.43) EGFRTYRALOX5FFAR1PTGS2
SCHEMBL872522 0.81 EGFR (0.43) EGFRTYRALOX5FFAR1PTGS2
SCHEMBL328706 0.81 ALOX5 (0.41) EGFRTYRALOX5PTGS2MAOA
SCHEMBL10272267 0.81 ALOX5 (0.41) EGFRTYRALOX5PTGS2MAOA
SCHEMBL13013439 0.80 EGFR (0.48) EGFRTYRALOX5FFAR1PTGS2
SCHEMBL872574 0.78 EGFR (0.40) EGFRTYRALOX5FFAR1PTGS2
SCHEMBL13013000 0.78 FFAR1 (0.43) EGFRALOX5FFAR1PTGS2
SCHEMBL11822461 0.77 ALOX5 (0.43) EGFRTYRALOX5PTGS2

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
US-8143324-B2 antioxidants with hindered phenol functionality perform better in curing of polybenzocyclobutene materials in air without undue degradation of key properties DOW GLOBAL TECHNOLOGIES LLC (US) 2012-03-27 US disclosed