SCHEMBL6869462

SCHEMBL6869462

OCC(F)=Cc1ccc(-c2cccs2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.53
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 5/20 0.47
GAA P10253 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
HSD17B10 Q99714 3/20 0.47
GLA P06280 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 2/20 0.47
HPGD P15428 2/20 0.47
CASP1 P29466 2/20 0.47
CASP7 P55210 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
USP2 O75604 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47

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
SCHEMBL6869460 1.00 DPP4 (0.53) DPP4ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL6852732 0.82 DPP4 (0.57) DPP4ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL12266048 0.78 SMN1; SMN2 (0.42) ALDH1A1KDM4EGAAGLAMAPT
SCHEMBL8571848 0.77 DPP4 (0.59) DPP4ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL6847977 0.75 PRF1 (0.41) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL6853766 0.75 HDAC1 (0.40) KDM4EGLAMAPTNPC1RAB9A
SCHEMBL6853779 0.75 HDAC1 (0.40) KDM4EGLAMAPTNPC1RAB9A
SCHEMBL6853774 0.75 HDAC1 (0.40) KDM4EGLAMAPTNPC1RAB9A
SCHEMBL6847972 0.75 PRF1 (0.41) ALDH1A1KDM4EHSD17B10MAPTHPGD
SCHEMBL6847980 0.75 PRF1 (0.41) ALDH1A1KDM4EHSD17B10MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed