SCHEMBL27598564

SCHEMBL27598564

CC(C(=O)NCC(=O)O)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.65
GLI1 P08151 1/20 0.64
GLI2 P10070 1/20 0.64
MEN1 O00255 1/20 0.59
CYP2D6 P10635 1/20 0.59
KMT2A Q03164 1/20 0.59
PTGS2 P35354 1/20 0.54
TRPV1 Q8NER1 1/20 0.54
ALOX5 P09917 1/20 0.50
MME P08473 1/20 0.49
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
FFAR1 O14842 2/20 0.47
ERCC1 P07992 1/20 0.47
ERCC4 Q92889 1/20 0.47
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
ACE P12821 1/20 0.46
ACACB O00763 1/20 0.45
ACACA Q13085 1/20 0.45

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
SCHEMBL1891876 1.00 PTGS1 (0.65) PTGS1GLI1GLI2MEN1CYP2D6
SCHEMBL13679147 0.84 GLI1 (0.68) PTGS1GLI1GLI2MEN1CYP2D6
SCHEMBL11533724 0.83 PTGS1 (0.60) PTGS1GLI1GLI2MEN1CYP2D6
SCHEMBL11533548 0.83 GLI1 (0.81) PTGS1GLI1GLI2MEN1CYP2D6
SCHEMBL9878055 0.83 PTGS1 (0.72) PTGS1GLI1GLI2MEN1CYP2D6
SCHEMBL11531868 0.83 PTGS1 (0.72) PTGS1GLI1GLI2MEN1CYP2D6
SCHEMBL6137585 0.82 MME (0.62) MEN1KMT2APTGS2MMELMNA
SCHEMBL11533087 0.82 GLI1 (0.59) PTGS1GLI1GLI2MEN1CYP2D6
SCHEMBL3147315 0.81 MME (0.51) GLI1GLI2PTGS2MMELMNA
SCHEMBL12608944 0.81 GLI1 (0.64) PTGS1GLI1GLI2MEN1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100513386-C Amides for inhibiting interleukin 8-induced chemotaxis of neutrophils DOMP S P A (IT) 2009-07-15 CN disclosed
CN-1479715-A Amides for inhibiting interleukin 8-induced chemotaxis of neutrophils ��ķ�ɷ����޹�˾ 2004-03-03 CN disclosed