SCHEMBL21286971

SCHEMBL21286971

CCCCc1cc(I)c(I)cc1I

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.45
HTT P42858 2/20 0.38
ALOX5 P09917 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TLR8 Q9NR97 1/20 0.34
ESR1 P03372 2/20 0.34
FFAR3 O14843 1/20 0.34
HCAR3 P49019 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
SCHEMBL23880370 0.88 ALOX5 (0.48) TYRHTTALOX5MEN1TP53
SCHEMBL675039 0.86 ALOX5 (0.52) TYRHTTALOX5MEN1TP53
SCHEMBL560620 0.86 ALOX5 (0.52) TYRHTTALOX5MEN1TP53
SCHEMBL12925073 0.81 ALOX5 (0.47) TYRHTTALOX5MEN1TP53
SCHEMBL725139 0.81 ALOX5 (0.47) TYRHTTALOX5MEN1TP53
SCHEMBL21286972 0.77 TYR (0.38) TYRHTTALOX5MEN1TP53
SCHEMBL21286980 0.76 TYR (0.50) TYRHTTALOX5MEN1TP53
SCHEMBL21286978 0.76 TYR (0.41) TYRHTTALOX5MEN1TP53
SCHEMBL17767410 0.76 ALOX5 (0.43) TYRHTTALOX5MEN1TP53
SCHEMBL20779043 0.74 SKP2 (0.47) TYRHTTTP53CYP3A4MAPT

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-20190258160-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-08-22 US disclosed