SCHEMBL28039153

SCHEMBL28039153

O=C1C=CC(=O)C(C(=O)OCc2ccccc2Br)=C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.52
MMP2 P08253 3/20 0.52
MMP9 P14780 3/20 0.52
MMP12 P39900 3/20 0.52
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 3/20 0.40
IDO1 P14902 2/20 0.40
PARP10 Q53GL7 1/20 0.40
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
MEN1 O00255 1/20 0.36
PPARG P37231 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL28844243 0.79 TDP1 (0.54) MMP1MMP2MMP9MMP12MAPT
SCHEMBL7765576 0.72 MAPT (0.56) MMP1MMP2MMP9MMP12MAPT
SCHEMBL20087542 0.72 NR4A1 (0.37) MAPTKMT2AALDH1A1MEN1MAOA
SCHEMBL7760184 0.71 ALDH1A1 (0.56) MMP1MMP2MMP9MMP12MAPT
SCHEMBL6702870 0.71 MMP1 (0.54) MMP1MMP2MMP9MMP12MAPT
SCHEMBL30429390 0.71 ALDH1A1 (0.56) MMP1MMP2MMP9MMP12MAPT
SCHEMBL6176778 0.70 ALDH1A1 (0.55) MMP1MMP2MMP9MMP12MAPT
SCHEMBL20087543 0.70 TDP1 (0.41) MMP1MMP2MMP9MMP12MAPT
SCHEMBL31554190 0.70 MAPT (0.57) MMP1MMP2MMP9MMP12MAPT
SCHEMBL10800307 0.70 ALDH1A1 (0.56) MMP1MMP2MMP9MMP12MAPT

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
CN-105152934-A Method for catalytic asymmetric synthesis of axial chiral biaryl diphenol UNIV SOUTH SCIENCE & TECHNOLOGY CHINA 2015-12-16 CN disclosed