SCHEMBL20837477

SCHEMBL20837477

CCOC(=O)CCCCN(CCOCc1cccc(C(C)(C)C)c1)Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 2/20 0.37
PDE6D O43924 1/20 0.36
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 2/20 0.35
LTA4H P09960 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEP1B Q16820 2/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL20837481 0.82 LPAR1 (0.43) MAPTALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL16663715 0.82 MMEL1 (0.36) MAPTALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL18030877 0.81 FFAR1 (0.34) MAPTALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL20837537 0.81 RXRA (0.41) MEP1BALOX5
SCHEMBL13206909 0.81 MEP1B (0.43) MAPTALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL20837540 0.80 MEP1B (0.40) MAPTALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL3768331 0.80 OPRK1 (0.47) MAPTALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL20837545 0.80 PLA2G4B (0.42) LTA4HMEP1BBCHEACHE
SCHEMBL20837560 0.79 PDE6D (0.32) MAPTALDH1A1SMN1; SMN2KDM4ERAB9A
SCHEMBL20837581 0.78 HDAC3 (0.42) MAPTALDH1A1KDM4ELTA4HL3MBTL1

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-3059224-B1 4-AMINOMETHYLBENZOIC ACID DERIVATIVE TOA EIYO LTD (JP) 2019-03-20 EP disclosed