SCHEMBL9199285

SCHEMBL9199285

CCc1cccc(C(=O)OP(=O)(OC(=O)c2cccc(CC)c2CC)OC(=O)c2cccc(CC)c2CC)c1CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
TSHR P16473 5/20 0.39
ALDH1A1 P00352 4/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
CLCN2 P51788 1/20 0.37
F2R P25116 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
KAT6A Q92794 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 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
SCHEMBL9199289 0.88 GABRA1 (0.38) GABRA1GABRB2TSHRALDH1A1HTT
SCHEMBL28680548 0.84 ALDH1A1 (0.53) GABRA1GABRB2TSHRALDH1A1HTT
SCHEMBL31530859 0.82 GABRA1 (0.45) GABRA1GABRB2TSHRALDH1A1HTT
SCHEMBL4780573 0.82 GABRA1 (0.45) GABRA1GABRB2TSHRALDH1A1HTT
SCHEMBL14958374 0.79 TSHR (0.66) TSHRALDH1A1LMNATDP1L3MBTL1
SCHEMBL10563836 0.79 GABRA1 (0.42) GABRA1GABRB2TSHRALDH1A1HTT
SCHEMBL1727746 0.77 GABRA1 (0.43) GABRA1GABRB2TSHRALDH1A1HTT
SCHEMBL1538548 0.76 GABRA1 (0.39) GABRA1GABRB2TSHRALDH1A1HTT
SCHEMBL6257154 0.76 CLCN2 (0.41) GABRA1GABRB2TSHRALDH1A1HTT
SCHEMBL16952642 0.76 ALDH1A1 (0.49) TSHRALDH1A1HTTLMNAL3MBTL1

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-0427224-B1 Novel polycationic compound and bleach composition containing the same KAO CORP (JP) 1995-02-01 EP disclosed
US-5220051-A Peracid precursors KAO CORPORATION (JP) 1993-06-15 US disclosed