SCHEMBL7426930

SCHEMBL7426930

CCOC(=O)C(CCCCOc1ccccc1C)C(=O)O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.82
L3MBTL1 Q9Y468 5/20 0.60
MAPK1 P28482 3/20 0.51
PTGES O14684 1/20 0.50
ALOX5 P09917 1/20 0.50
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
PTPN1 P18031 2/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 3/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
TSHR P16473 1/20 0.47
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 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
SCHEMBL7640311 0.90 TDP1 (0.80) TDP1L3MBTL1MAPK1PTGESALOX5
SCHEMBL7434380 0.84 TDP1 (0.83) TDP1L3MBTL1MAPK1ALOX5PPARG
SCHEMBL7429680 0.83 TDP1 (0.81) TDP1L3MBTL1MAPK1ALOX5PPARG
SCHEMBL7635821 0.81 TDP1 (0.61) TDP1L3MBTL1MAPK1PTGESALOX5
SCHEMBL7430736 0.80 TDP1 (0.91) TDP1L3MBTL1MAPK1ALOX5PPARG
SCHEMBL7429207 0.80 TDP1 (0.91) TDP1L3MBTL1MAPK1PTPN1ALDH1A1
SCHEMBL7635568 0.80 TDP1 (0.63) TDP1L3MBTL1PPARGALDH1A1KDM4E
SCHEMBL8080157 0.78 TDP1 (0.88) TDP1L3MBTL1MAPK1ALDH1A1MEN1
SCHEMBL7571535 0.78 TDP1 (0.88) TDP1L3MBTL1MAPK1ALDH1A1MEN1
SCHEMBL11022539 0.78 TDP1 (0.88) TDP1L3MBTL1MAPK1ALDH1A1MEN1

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-0046590-A2 Phen(alk)oxy-substituted oxirane-carboxylic acids, process for their preparation, their use and drugs containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1982-03-03 EP disclosed