SCHEMBL8784209

SCHEMBL8784209

CCCCOc1cccc(C=CC(=O)O)c1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.76
ALDH1A1 P00352 2/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
PKM P14618 1/20 0.64
TLR4 O00206 2/20 0.63
TLR2 O60603 2/20 0.63
CYSLTR2 Q9NS75 1/20 0.55
POLB P06746 1/20 0.54
AKR1C3 P42330 1/20 0.52
BCHE P06276 3/20 0.51
APP P05067 1/20 0.51
ACHE P22303 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PLA2G4B P0C869 1/20 0.50

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
SCHEMBL8784206 1.00 KDM4E (0.76) KDM4EALDH1A1SMN1; SMN2PKMTLR4
SCHEMBL9717025 0.94 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2PKMTLR4
SCHEMBL7969956 0.94 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2PKMTLR4
SCHEMBL9717028 0.94 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2PKMTLR4
SCHEMBL7969953 0.94 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2PKMTLR4
SCHEMBL9015708 0.94 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2PKMTLR4
SCHEMBL7970157 0.94 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2PKMTLR4
SCHEMBL7970153 0.94 KDM4E (0.72) KDM4EALDH1A1SMN1; SMN2PKMTLR4
SCHEMBL28397202 0.93 KDM4E (0.78) KDM4EALDH1A1SMN1; SMN2PKMTLR4
SCHEMBL28397201 0.93 KDM4E (0.78) KDM4EALDH1A1SMN1; SMN2PKMTLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0595995-B1 ARYLAMIDOALKYL- AND ARYLAMINOALKYL-N-HYDROXYUREA COMPOUNDS AND -N-HYDROXYFORMAMIDE DERIVATIVES HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LAB (US) 1997-01-15 EP disclosed
US-5514702-A Arylamidoalkyl-N-hydroxyurea compounds having lipoxygenase inhibitory activity ABBOTT LABORATORIES (US) 1996-05-07 US disclosed
EP-0595995-A4 ARYLAMIDOALKYL-N-HYDROXYUREA COMPOUNDS HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LAB (US) 1994-08-24 EP disclosed
EP-0595995-A1 ARYLAMIDOALKYL-N-HYDROXYUREA COMPOUNDS HAVING LIPOXYGENASE INHIBITORY ACTIVITY. ABBOTT LAB (US) 1994-05-11 EP disclosed
WO-1993002037-A1 ARYLAMIDOALKYL-N-HYDROXYUREA COMPOUNDS HAVING LIPOXYGENASE INHIBITORY ACTIVITY ABBOTT LABORATORIES (US) 1993-02-04 WO disclosed