SCHEMBL7246741

SCHEMBL7246741

Br[Mg]CC#CCOCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 1/20 0.48
MMP2 P08253 2/20 0.40
MMP12 P39900 2/20 0.40
HTT P42858 1/20 0.39
IDO1 P14902 1/20 0.36
NAAA Q02083 1/20 0.36
AGXT P21549 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
TACR1 P25103 1/20 0.34

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
SCHEMBL6508653 0.84 TSHR (0.67) LMNAALDH1A1SMN1; SMN2TSHRMMP2
SCHEMBL22766620 0.83 TSHR (0.54) LMNAALDH1A1SMN1; SMN2TSHRMMP2
SCHEMBL7247334 0.82 LMNA (0.49) LMNAALDH1A1SMN1; SMN2TSHRMMP2
SCHEMBL13259140 0.77 TSHR (0.56) LMNAALDH1A1SMN1; SMN2TSHRMMP2
SCHEMBL3268152 0.76 ALDH1A1 (0.57) LMNAALDH1A1SMN1; SMN2TSHRMMP2
SCHEMBL22764713 0.76 TSHR (0.54) LMNAALDH1A1SMN1; SMN2TSHRMMP2
SCHEMBL7772144 0.73 TSHR (0.56) LMNAALDH1A1SMN1; SMN2TSHRMMP2
SCHEMBL3682764 0.73 TSHR (0.56) LMNAALDH1A1SMN1; SMN2TSHRMMP2
SCHEMBL8396350 0.73 ALDH1A1 (0.54) LMNAALDH1A1SMN1; SMN2TSHRMMP2
SCHEMBL7072171 0.72 TSHR (0.54) LMNAALDH1A1SMN1; SMN2TSHRMMP2

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-6630484-B1 6-and 7-substituted analogs of swainsonine their preparation and therapeutic use THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2003-10-07 US disclosed