SCHEMBL9285291

SCHEMBL9285291

CCCCc1cc(-c2[c]cccc2-c2cc(CCCC)c(O)c(CCCC)c2)cc(CCCC)c1O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.37
ELANE P08246 6/20 0.36
CTSG P08311 4/20 0.36
ALOX5 P09917 6/20 0.33
PTGS2 P35354 4/20 0.33
EGFR P00533 1/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 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
SCHEMBL5140860 0.74 TYR (0.50) TYRALOX5PTGS2EGFRMEN1
SCHEMBL7702914 0.73 CA1 (0.45) ALOX5PTGS2MEN1HTTKMT2A
SCHEMBL13895963 0.72 TYR (0.46) TYRELANECTSGALOX5PTGS2
SCHEMBL11045790 0.72 NR1H2 (0.39) ELANECTSGCYP3A4
SCHEMBL12457001 0.72 TYR (0.46) TYRALOX5PTGS2EGFRMEN1
SCHEMBL1900098 0.71 PDCD1 (0.37) ELANECTSGTSHR
SCHEMBL15923507 0.71 TYR (0.37) TYRALOX5PTGS2EGFRMEN1
SCHEMBL1022175 0.71 PTPN1 (0.45) TYRELANECTSGEGFRCYP3A4
SCHEMBL6687946 0.71 NR1H2 (0.38) TYRELANECTSGALOX5PTGS2
SCHEMBL1897415 0.70 PSMB5 (0.44) MEN1MAPTHTTKMT2A

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
EP-0645023-A1 IMAGEABLE ARTICLES HAVING DYE SELECTIVE INTERLAYERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-03-29 EP disclosed