SCHEMBL8813481

SCHEMBL8813481

CCOC(=O)c1noc(C2CC2)c1C(=O)c1cccc(Br)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
HCRTR2 O43614 2/20 0.37
HSD11B1 P28845 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
ALDH1A1 P00352 4/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
TDP2 O95551 2/20 0.34
CA12 O43570 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
SCHEMBL6292090 0.88 HTT (0.39) HTTHCRTR2ALDH1A1TSHRLMNA
SCHEMBL7576144 0.86 HTT (0.36) HTTHCRTR2CACNA1FCACNA1DCACNA1S
SCHEMBL7573013 0.86 KDM4E (0.36) HTTHCRTR2CACNA1FCACNA1DCACNA1S
SCHEMBL7574484 0.86 HTT (0.35) HTTHCRTR2HSD11B1CACNA1FCACNA1D
SCHEMBL8814798 0.85 HTT (0.36) HTTHCRTR2CACNA1FCACNA1DCACNA1S
SCHEMBL8814793 0.85 HTT (0.36) HTTHCRTR2CACNA1FCACNA1DCACNA1S
SCHEMBL8747816 0.85 ELANE (0.42) HTTHCRTR2ALDH1A1TSHRLMNA
SCHEMBL6292089 0.83 TSHR (0.38) HTTHCRTR2ALDH1A1TSHRLMNA
SCHEMBL9114894 0.82 PPARG (0.38) HTTALDH1A1TSHRSMN1; SMN2KDM4E
SCHEMBL8492187 0.81 ALDH1A1 (0.35) HTTCACNA1FCACNA1DCACNA1SCACNA1C

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
WO-1997023491-A1 NEW HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-03 WO disclosed