SCHEMBL3398683

SCHEMBL3398683

O=C(O)c1cccc(Br)c1OCC1CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.45
THRB P10828 2/20 0.45
CXCR5 P32302 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4C Q9H3R0 2/20 0.40
KDM5A P29375 1/20 0.40
NR1H4 Q96RI1 3/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PRNP P04156 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
MAPK8 P45983 1/20 0.39
CNR2 P34972 1/20 0.36
FABP4 P15090 1/20 0.35

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
SCHEMBL30462500 0.84 FABP4 (0.52) CXCR5ALDH1A1KDM4CKDM5AKDM4E
SCHEMBL28549841 0.84 FABP4 (0.52) CXCR5ALDH1A1KDM4CKDM5AKDM4E
SCHEMBL27248573 0.82 CXCR5 (0.60) CXCR5ALDH1A1KDM4CKDM5ANR1H4
SCHEMBL3397688 0.80 CXCR5 (0.38) THRATHRBCXCR5HPGDPARP15
SCHEMBL21828877 0.78 HSD17B10 (0.51) THRBALDH1A1MAPK1KDM4EHPGD
SCHEMBL6058165 0.77 THRA (0.49) THRATHRBPARP15PARP10PARP2
SCHEMBL6771711 0.75 KDM4E (0.54) THRATHRBCXCR5ALDH1A1KDM4E
SCHEMBL6770208 0.75 FABP4 (0.53) THRATHRBALDH1A1PARP15PARP10
SCHEMBL6770847 0.74 PARP15 (0.49) MAPK1HPGDPARP15PARP10MAPK8
SCHEMBL6766362 0.74 PARP15 (0.46) MAPK1HPGDPARP15PARP10

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-2245019-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
WO-2009103626-A1 4, 5-DIHYDRO-OXAZOL-2-YL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed