SCHEMBL28138685

SCHEMBL28138685

CCCCc1cc(C(CCC)c2cc(CCCC)c(O)c(CCCC)c2)cc(CCCC)c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.42
ALOX5 P09917 6/20 0.40
EGFR P00533 1/20 0.39
PTGS2 P35354 5/20 0.39
HTT P42858 2/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP3A4 P08684 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34

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
SCHEMBL8772314 0.84 ALOX5 (0.43) TYRALOX5PTGS2HTTCYP3A4
SCHEMBL8092162 0.82 GABRA1 (0.41) CYP3A4TP53ALOX15TDP1GABRA1
SCHEMBL8037388 0.78 TYR (0.42) TYRALOX5EGFRPTGS2HTT
SCHEMBL4854736 0.77 EGFR (0.43) TYRALOX5EGFRPTGS2TSHR
SCHEMBL9174672 0.77 TYR (0.42) TYRALOX5EGFRPTGS2HTT
SCHEMBL12653592 0.77 TP53 (0.44) TYRALOX5PTGS2HTTMAPK1
SCHEMBL7562102 0.76 EGFR (0.41) TYRALOX5EGFRPTGS2HTT
SCHEMBL17265719 0.76 TP53 (0.39) TYRALOX5EGFRPTGS2HTT
SCHEMBL5140860 0.76 TYR (0.50) TYRALOX5EGFRPTGS2HTT
SCHEMBL1760464 0.76 ALOX5 (0.61) TYRALOX5EGFRPTGS2HTT

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
CN-106527049-A Photosensitive resin composition and display device using the same 三星显示有限公司 2017-03-22 CN disclosed