SCHEMBL7797022

SCHEMBL7797022

COc1ccc2c(c1)C(C(=O)O)c1ccccc1N2C

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
MAPT P10636 1/20 0.46
EDNRA P25101 3/20 0.43
EDNRB P24530 2/20 0.43
ALDH1A1 P00352 2/20 0.43
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 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
SCHEMBL7793219 0.93 LMNA (0.43) MAPTEDNRAEDNRBALDH1A1KDM4E
SCHEMBL7793833 0.92 HDAC4 (0.49) HDAC4HDAC7HDAC5MAPTEDNRA
SCHEMBL2989515 0.83 HDAC4 (0.66) HDAC4HDAC7HDAC5MAPTEDNRA
SCHEMBL31613807 0.83 HDAC4 (0.66) HDAC4HDAC7HDAC5MAPTEDNRA
Hydrochloric Acid SCHEMBL2982836 0.82 HDAC4 (0.64) HDAC4HDAC7HDAC5MAPTEDNRA
SCHEMBL7755161 0.81 HDAC4 (0.42) HDAC4HDAC7HDAC5ALDH1A1EGFR
SCHEMBL38663301 0.80 HDAC4 (0.41) HDAC4HDAC7HDAC5MAPTALDH1A1
SCHEMBL7755171 0.79 SNCA (0.42) MAPTALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL7031997 0.79 HDAC4 (0.45) HDAC4HDAC7HDAC5MAPTALDH1A1
Biphenyl SCHEMBL2987647 0.79 HDAC4 (0.60) HDAC4HDAC7HDAC5MAPTEGFR

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-0750748-B1 NOVEL ARYL N-ALKYLACRIDANCARBOXYLATE DERIVATIVES USEFUL FOR CHEMILUMINESCENT DETECTION LUMIGEN INC (US) 2001-12-05 EP claimed