SCHEMBL9507442

SCHEMBL9507442

C=C(C(=O)OCc1ccccc1)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MDM2 Q00987 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 1/20 0.46
CTRB1 P17538 2/20 0.46
SLC15A1 P46059 1/20 0.45
SRR Q9GZT4 2/20 0.44
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
MMP8 P22894 1/20 0.43

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
SCHEMBL9359414 0.86 MMP8 (0.56) ALDH1A1MDM2L3MBTL1KMT2ATDP1
SCHEMBL9355124 0.84 PPARA (0.44) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL9355216 0.84 PPARG (0.42) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL7086133 0.83 CYP3A4 (0.45) ALDH1A1MDM2CYP1A2SRRALPI
SCHEMBL9355145 0.83 ALPI (0.44) ALDH1A1MDM2CYP1A2SRRALPI
SCHEMBL5682140 0.83 CTSB (0.49) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL5682142 0.83 CTSB (0.49) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL7298214 0.81 ALDH1A1 (0.55) ALDH1A1MDM2MAPK1L3MBTL1SLC6A2
SCHEMBL7279716 0.80 ALDH1A1 (0.55) ALDH1A1MAPK1L3MBTL1SLC6A2SLC6A3
SCHEMBL9358977 0.79 TSHR (0.50) MDM2CYP1A2SRRALPIPKM

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
EP-0549808-A1 TRANSPARENT PLASTIC MATERIAL SEIKO EPSON CORPORATION (JP) 1993-07-07 EP disclosed