SCHEMBL7793833

SCHEMBL7793833

COc1ccc2c(c1)N(C)c1ccccc1C2C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
EDNRA P25101 5/20 0.43
EDNRB P24530 4/20 0.43
MAPT P10636 2/20 0.43
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
LMNA P02545 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7797022 0.92 HDAC4 (0.49) HDAC4HDAC7HDAC5EDNRAEDNRB
SCHEMBL7031997 0.87 HDAC4 (0.45) HDAC4HDAC7HDAC5MAPTEGFR
SCHEMBL7755161 0.86 HDAC4 (0.42) HDAC4HDAC7HDAC5EGFRSRC
SCHEMBL7592240 0.85 MAPT (0.41) HDAC4HDAC7HDAC5MAPTSLC6A2
SCHEMBL7793219 0.84 LMNA (0.43) EDNRAEDNRBMAPTLMNAPTGDR2
SCHEMBL6024353 0.84 EDNRA (0.45) EDNRAEDNRBMAPTPTGDR2KDM4E
SCHEMBL31613807 0.83 HDAC4 (0.66) HDAC4HDAC7HDAC5EDNRAMAPT
SCHEMBL2989515 0.83 HDAC4 (0.66) HDAC4HDAC7HDAC5EDNRAMAPT
SCHEMBL8331335 0.82 MAPT (0.41) HDAC4HDAC7HDAC5MAPTSLC6A2
Hydrochloric Acid SCHEMBL2982836 0.82 HDAC4 (0.64) HDAC4HDAC7HDAC5EDNRAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0750748-B1 NOVEL ARYL N-ALKYLACRIDANCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN INC (US) 2001-12-05 EP claimed
EP-0778947-A4 CHEMILUMINESCENT DETECTION OF HYDROLYTIC ENZYMES USING AN ACRIDAN LUMIGEN INC (US) 1999-01-27 EP disclosed
EP-0778947-A1 CHEMILUMINESCENT DETECTION OF HYDROLYTIC ENZYMES USING AN ACRIDAN LUMIGEN, INC. (US) 1997-06-18 EP disclosed
WO-1996007911-A1 CHEMILUMINESCENT DETECTION OF HYDROLYTIC ENZYMES USING AN ACRIDAN LUMIGEN, INC. (US) 1996-03-14 WO disclosed