SCHEMBL6709795

SCHEMBL6709795

CC(C)(C)[Si](C)(C)O[C@@H]1C2CN(c3ccc(F)cc3NC(=O)OCc3ccccc3)C[C@@H]21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGAT2 Q10469 1/20 0.41
RORC P51449 3/20 0.41
KDM1A O60341 6/20 0.41
MAOA P21397 6/20 0.41
KDM1B Q8NB78 6/20 0.41
RCOR1 Q9UKL0 6/20 0.41
MAOB P27338 4/20 0.41
HRH3 Q9Y5N1 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CHRM3 P20309 3/20 0.40
WDR5 P61964 1/20 0.39
MGLL Q99685 1/20 0.39
CASP3 P42574 1/20 0.39
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
F10 P00742 1/20 0.37

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
SCHEMBL6340185 0.86 PTGDR2 (0.46) RORCKDM1AMAOAMAOBNPC1
SCHEMBL6478377 0.82 PTGDR2 (0.43) RORCKDM1AMAOARCOR1MAOB
SCHEMBL6709937 0.81 CHRM3 (0.46) MGAT2KDM1AMAOAKDM1BRCOR1
SCHEMBL5746506 0.78 RORC (0.42) MGAT2RORCKDM1AMAOAKDM1B
SCHEMBL7805529 0.77 PTGDR2 (0.47) RORCKDM1AMAOAMAOBNPC1
SCHEMBL6712840 0.76 MGAT2 (0.42) MGAT2KDM1AMAOAKDM1BRCOR1
SCHEMBL7829444 0.74 PTGDR2 (0.44) RORCNPC1RAB9AMGLL
SCHEMBL5291750 0.73 PTGDR2 (0.44) RORCKDM1AMAOARCOR1MAOB
SCHEMBL2635626 0.72 HRH3 (0.46) KDM1AMAOARCOR1MAOBHRH3
SCHEMBL6710895 0.70 NPC1 (0.48) RORCKDM1AMAOAKDM1BRCOR1

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
EP-1385834-A1 BICYCLO[3,1,0]HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTIC AND DERIVATIVES THEREOF Merck & Co., Inc. (US) 2004-02-04 EP disclosed
WO-2003027083-A1 BICYCLO[3,1,0]HEXANE CONTAINING OXAZOLIDINONE ANTIBIOTIC AND DERIVATIVES THEREOF MERCK & CO., INC. (US) 2003-04-03 WO disclosed