SCHEMBL4647514

SCHEMBL4647514

CCCCCCCCCc1cc(Br)c(C=CC(=O)O)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATG4B Q9Y4P1 12/20 0.50
PLA2G1B P04054 10/20 0.50
THRA P10827 3/20 0.50
THRB P10828 3/20 0.50
CYP1A2 P05177 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
RECQL P46063 1/20 0.50
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
GPR84 Q9NQS5 1/20 0.44
PTGS2 P35354 2/20 0.44

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
SCHEMBL4647916 1.00 ATG4B (0.50) ATG4BPLA2G1BTHRATHRBCYP1A2
Acrylic Acid SCHEMBL31244468 0.82 THRB (0.49) ATG4BPLA2G1BTHRATHRBCYP1A2
Acrylic Acid SCHEMBL31244469 0.82 THRB (0.49) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL13899895 0.81 ATG4B (0.55) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL1804530 0.79 THRA (0.47) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL1804602 0.79 THRA (0.47) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL6287182 0.74 ALDH1A1 (0.67) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL19460591 0.74 ALDH1A1 (0.67) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL11765995 0.74 ALDH1A1 (0.67) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL3684326 0.74 ALDH1A1 (0.67) ATG4BPLA2G1BTHRATHRBCYP1A2

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-2938689-B1 OPTICALLY CLEAR HOT MELT PROCESSABLE HIGH REFRACTIVE INDEX ADHESIVES 3M INNOVATIVE PROPERTIES CO (US) 2018-07-11 EP claimed
EP-1244756-B2 HIGH REFRACTIVE INDEX PRESSURE-SENSITIVE ADHESIVES 3M INNOVATIVE PROPERTIES CO (US) 2008-08-20 EP claimed
EP-1244756-B1 HIGH REFRACTIVE INDEX PRESSURE-SENSITIVE ADHESIVES 3M INNOVATIVE PROPERTIES CO (US) 2004-10-27 EP claimed