SCHEMBL8159484

SCHEMBL8159484

O=C(OO)c1ccc(CBr)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.42
PTPN1 P18031 1/20 0.42
PARP10 Q53GL7 2/20 0.40
MAOB P27338 1/20 0.40
MAPK1 P28482 1/20 0.39
LMNA P02545 1/20 0.39
CYP4A11 Q02928 4/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP4F2 P78329 3/20 0.38
CCR6 P51684 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
TRPA1 O75762 1/20 0.37
TSHR P16473 1/20 0.37
NR4A2 P43354 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL2500365 0.84 CES2 (0.55) CES2CES1MEN1KMT2ALOXL2
SCHEMBL636176 0.84 CES2 (0.55) CES2CES1MEN1KMT2ALOXL2
SCHEMBL28636737 0.83 KMT2A (0.53) CES2CES1MEN1KMT2ALOXL2
SCHEMBL12381580 0.81 CES2 (0.52) CES2CES1MEN1KMT2ALOXL2
SCHEMBL33494 0.81 LOXL2 (0.66) CES2CES1MEN1KMT2ALOXL2
SCHEMBL1286650 0.81 CES2 (0.48) CES2CES1MEN1KMT2APARP10
SCHEMBL1033745 0.80 ALDH1A1 (0.61) MEN1KMT2ALOXL2LMNACYP4A11
SCHEMBL4050879 0.79 LOXL2 (0.63) CES2CES1MEN1KMT2ALOXL2
Bromide SCHEMBL4809006 0.79 LOXL2 (0.63) CES2CES1MEN1KMT2ALOXL2
SCHEMBL28597958 0.78 CES2 (0.46) CES2CES1MEN1KMT2APARP10

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-107230613-A The manufacture method of separating layer formation composition, lamilate and lamilate 东京应化工业株式会社 2017-10-03 CN disclosed
WO-2000053649-A1 STYRENIC GRAFT COPOLYMER AND METHOD OF PREPARING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2000-09-14 WO disclosed