SCHEMBL5595096

SCHEMBL5595096

COC(=O)c1ccc(O)c(NC(=O)Nc2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
RAB9A P51151 7/20 0.58
NPC1 O15118 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
KDM4E B2RXH2 1/20 0.57
NFKB1 P19838 1/20 0.57
HTT P42858 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
CXCR2 P25025 2/20 0.56

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
SCHEMBL7489275 0.96 MAPT (0.58) MAPTRAB9ANPC1SMN1; SMN2CA12
SCHEMBL5594674 0.89 CXCR2 (0.65) MAPTRAB9ANPC1SMN1; SMN2CA12
SCHEMBL17276242 0.84 CA12 (0.57) MAPTRAB9ASMN1; SMN2CA12CA1
SCHEMBL1463068 0.82 NTRK1 (0.67) MAPTRAB9ANPC1SMN1; SMN2CA12
SCHEMBL4112603 0.81 MEN1 (0.75) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL8899001 0.81 TP53 (0.60) MAPTRAB9ANPC1SMN1; SMN2CA12
SCHEMBL8959475 0.80 CA12 (0.61) MAPTSMN1; SMN2CA12CA1CA2
SCHEMBL1464161 0.80 RAB9A (0.76) MAPTRAB9ANPC1CA12CA1
SCHEMBL14442627 0.79 CXCR2 (0.77) MAPTRAB9ANPC1SMN1; SMN2CA12
SCHEMBL7420862 0.79 ALDH1A1 (0.69) MAPTSMN1; SMN2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0809492-A4 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2007-01-24 EP disclosed
US-6180675-B1 THERAPY FOR CHEMOKINE SENSITIVE DISEASE; USING A AROMATIC (THIO)UREA COMPOUND SMITHKLINE BEECHAM CORPORATION 2001-01-30 US disclosed
US-6005008-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-12-21 US disclosed
US-5886044-A IL-8 receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-03-23 US disclosed
EP-0809492-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-12-03 EP disclosed
WO-1996025157-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-08-22 WO disclosed