SCHEMBL8942657

SCHEMBL8942657

NC(=O)NCCN(O)C(=O)COc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
RAB9A P51151 3/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
LTA4H P09960 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PARP10 Q53GL7 1/20 0.41
NPC1 O15118 2/20 0.41
ALOX15 P16050 1/20 0.41
MAOB P27338 1/20 0.40
AOC3 Q16853 1/20 0.40
FFAR1 O14842 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8942292 0.91 KDM4E (0.54) ALOX5SMN1; SMN2RAB9AGLAGAA
SCHEMBL8942625 0.88 ALOX5 (0.47) ALOX5SMN1; SMN2GLAGAAHTT
SCHEMBL8782786 0.82 CYP1A2 (0.61) ALOX5SMN1; SMN2RAB9AGLAGAA
SCHEMBL8942484 0.82 PARP10 (0.50) ALOX5SMN1; SMN2RAB9AALDH1A1PARP10
SCHEMBL8942608 0.79 FDFT1 (0.48) ALOX5FFAR1
SCHEMBL8942399 0.74 CTNNB1 (0.52) SMN1; SMN2RAB9AGAAHTTKDM4E
SCHEMBL8782626 0.74 KDM4E (0.61) ALOX5SMN1; SMN2RAB9AGLAGAA
SCHEMBL8783140 0.74 CA12 (0.58) ALOX5SMN1; SMN2RAB9AHTTALDH1A1
SCHEMBL8942307 0.72 KLKB1 (0.43) ALOX5RAB9ALTA4HALDH1A1NPC1
SCHEMBL8942663 0.72 ALOX5 (0.46) ALOX5SMN1; SMN2RAB9AKDM4EALDH1A1

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
US-5514702-A Arylamidoalkyl-N-hydroxyurea compounds having lipoxygenase inhibitory activity ABBOTT LABORATORIES (US) 1996-05-07 US disclosed