SCHEMBL8546757

SCHEMBL8546757

COc1cc(OC)c(C(=O)C(C)Br)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.51
USP2 O75604 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ABCG2 Q9UNQ0 3/20 0.46
CYP2D6 P10635 2/20 0.43
LMNA P02545 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2C P18825 1/20 0.43
OPRK1 P41145 1/20 0.43
KCNH2 Q12809 1/20 0.43
EBP Q15125 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2C19 P33261 1/20 0.41
NFKB1 P19838 1/20 0.40
DPP4 P27487 1/20 0.40
NFKB2 Q00653 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
SCHEMBL2150320 0.85 USP2 (0.55) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL5995893 0.81 CYP3A4 (0.51) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL1924047 0.81 CYP3A4 (0.50) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
SCHEMBL8550245 0.80 PTGS2 (0.39) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
SCHEMBL1661748 0.80 ALOX15 (0.38) CYP3A4USP2MAPK1SMN1; SMN2KMT2A
SCHEMBL1922400 0.77 NPC1 (0.57) CYP3A4SMN1; SMN2ABCG2LMNAKMT2A
SCHEMBL1162432 0.77 KMT2A (0.46) ABCG2KMT2A
SCHEMBL4907666 0.74 CYP3A4 (0.60) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL466144 0.74 CYP3A4 (0.60) CYP3A4USP2MAPK1SMN1; SMN2ABCG2
SCHEMBL2029772 0.74 CYP3A4 (0.78) CYP3A4USP2MAPK1SMN1; SMN2ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5821255-A REGULATING THE SECRETION OF CORTICOTROPIN, BETA-ENDORPHIN OR PEPTIDES DERIVED FROM PROOPIOMELANOCORTIN SANOFI (FR) 1998-10-13 US disclosed
EP-0659747-B1 Branched aminothiazole derivatives process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1998-04-01 EP disclosed
EP-0576350-B1 Branched alkylamino thiazole derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1997-10-29 EP disclosed
CN-1127252-A Branched-amino-sbustituted thiazoles, processes for their preparation and the pharmaceutical compositions which contain them SANOFI SA (FR) 1996-07-24 CN disclosed
US-5464847-A Moduators of corticotropin releasing factor ELF SANOFI (FR) 1995-11-07 US disclosed
EP-0659747-A1 Branched aminothiazole derivatives process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1995-06-28 EP disclosed
EP-0576350-A1 Branched alkylamino thiozole derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1993-12-29 EP disclosed