SCHEMBL27736738

SCHEMBL27736738

Brc1cc(Br)c(Br)cc1Br.CCCCCCCCOC(=O)c1ccc(CCCCCCCC)cc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.55
PPARA Q07869 2/20 0.55
PPARG P37231 1/20 0.55
TSHR P16473 4/20 0.53
ALDH1A1 P00352 3/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 2/20 0.51
MAPK1 P28482 2/20 0.51
TP53 P04637 1/20 0.51
RARB P10826 3/20 0.48
RARA P10276 1/20 0.48
RARG P13631 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
Octane SCHEMBL28857502 0.94 KAT8 (0.62) KAT8PPARAPPARGTSHRALDH1A1
Hexane SCHEMBL28050986 0.94 KAT8 (0.62) KAT8PPARAPPARGTSHRALDH1A1
SCHEMBL182437 0.94 KAT8 (0.62) KAT8PPARAPPARGTSHRALDH1A1
Benzene SCHEMBL27571470 0.93 TSHR (0.62) KAT8PPARAPPARGTSHRALDH1A1
Cyclohexane SCHEMBL27580700 0.90 KAT8 (0.58) KAT8PPARAPPARGTSHRALDH1A1
Octane SCHEMBL28824317 0.89 KAT8 (0.62) KAT8PPARAPPARGTSHRALDH1A1
SCHEMBL9420871 0.89 KAT8 (0.62) KAT8PPARAPPARGTSHRALDH1A1
Pyrazine SCHEMBL27838725 0.88 KAT8 (0.55) KAT8PPARAPPARGTSHRALDH1A1
Naphthalene SCHEMBL27271512 0.88 TSHR (0.60) KAT8PPARAPPARGTSHRALDH1A1
Pentane SCHEMBL27636475 0.88 KAT8 (0.60) KAT8PPARAPPARGTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103838086-A Composition containing reaction product of isocyanuric acid compound and benzoic acid compound for forming anti-reflection film NISSAN CHEMICAL IND LTD 2014-06-04 CN disclosed
CN-101268419-A Composition for forming antireflection film containing reaction product of isocyanuric acid compound and benzoic acid compound NISSAN CHEMICAL INDUSTRY LTD (JP) 2008-09-17 CN disclosed