SCHEMBL7614059

SCHEMBL7614059

CCCCCCCCCCCCc1cc(Br)cc(Br)c1O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.53
PTGS2 P35354 7/20 0.53
GFER P55789 1/20 0.47
CYP3A4 P08684 3/20 0.46
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
TYR P14679 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
EGFR P00533 1/20 0.44
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 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
SCHEMBL8400495 1.00 ALOX5 (0.53) ALOX5PTGS2GFERCYP3A4TSHR
SCHEMBL29038541 0.93 GFER (0.50) ALOX5PTGS2GFERCYP3A4TSHR
SCHEMBL5138127 0.82 PTGS2 (0.53) ALOX5PTGS2CYP3A4TP53HTT
SCHEMBL8400526 0.82 PTGS2 (0.49) ALOX5PTGS2CYP3A4TSHRTDP1
SCHEMBL15758556 0.82 ALOX5 (0.46) ALOX5PTGS2CYP3A4TSHRTDP1
SCHEMBL8401944 0.82 PTGS2 (0.49) ALOX5PTGS2CYP3A4TSHRTDP1
SCHEMBL15758094 0.81 ALOX5 (0.71) ALOX5PTGS2TSHRMAPT
SCHEMBL28036540 0.79 ALOX5 (0.44) ALOX5PTGS2CYP3A4TSHRTDP1
SCHEMBL8398625 0.77 ESR1 (0.48) ALOX5PTGS2CYP3A4TSHRTDP1
SCHEMBL8402861 0.77 ALOX5 (0.44) ALOX5PTGS2CYP3A4TSHRTDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994844-B1 HIGH INDEX OF REFRACTION MONOMERS MINNESOTA MINING & MFG (US) 2002-07-31 EP disclosed
EP-0994844-A1 HIGH INDEX OF REFRACTION MONOMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-04-26 EP disclosed
WO-1998050340-A1 HIGH INDEX OF REFRACTION MONOMERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-11-12 WO disclosed