SCHEMBL6544967

SCHEMBL6544967

CCOc1cc(C(=O)CBr)cc(C(C)(C)C)c1N(CC)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
LMNA P02545 2/20 0.35
RECQL P46063 1/20 0.35
TSHR P16473 4/20 0.34
ALDH1A1 P00352 2/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
F2R P25116 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPK1 P28482 2/20 0.31
GAA P10253 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL1728964 0.78 LMNA (0.43) THRATHRBLMNARECQLTSHR
SCHEMBL9907147 0.78 TSHR (0.49) LMNATSHRALDH1A1F2RNCOA1
SCHEMBL1730641 0.76 NCOA1 (0.49) LMNATSHRALDH1A1F2RNCOA1
SCHEMBL1730615 0.73 MEN1 (0.38) LMNATSHRF2RNCOA1NCOA3
SCHEMBL1189097 0.67 ALOX5 (0.55) LMNARECQLTSHRALDH1A1F2R
SCHEMBL7859993 0.67 TSHR (0.46) LMNATSHRALDH1A1HSD17B10NCOA1
SCHEMBL1860565 0.66 RARA (0.48) THRATHRBLMNARECQLHSP90AA1
SCHEMBL2772923 0.66 TNFRSF1A (0.48) LMNARECQLTSHRALDH1A1KDM4E
SCHEMBL5057100 0.66 TSHR (0.57) LMNATSHRALDH1A1HSD17B10MAPK1
SCHEMBL6544965 0.66 TSHR (0.39) LMNATSHRALDH1A1HSD17B10MAPK1

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
EP-1391451-A1 2-IMINOPYRROLIDINE DERIVATES Eisai Co., Ltd. (JP) 2004-02-25 EP disclosed