SCHEMBL8630154

SCHEMBL8630154

CC(C)(Br)C(=O)c1ccc(Sc2ccc(C(=O)C(C)(C)Br)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
LMNA P02545 1/20 0.56
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
NR1H2 P55055 1/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
PLK1 P53350 1/20 0.35
PTGIR P43119 1/20 0.35
CA2 P00918 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
SCHEMBL1553692 0.92 HPGD (0.61) HPGDL3MBTL1LMNAALDH1A1MAPK1
SCHEMBL725552 0.85 ALDH1A1 (0.54) HPGDL3MBTL1LMNAALDH1A1MAPK1
SCHEMBL10871719 0.84 HPGD (0.58) HPGDL3MBTL1LMNAALDH1A1MAPK1
SCHEMBL6697449 0.83 HPGD (0.56) HPGDL3MBTL1LMNAALDH1A1MAPK1
SCHEMBL1554062 0.82 SRD5A2 (0.49) HPGDL3MBTL1LMNAALDH1A1MEN1
SCHEMBL1553898 0.80 HPGD (0.38) HPGDL3MBTL1LMNAALDH1A1MAPK1
SCHEMBL1554443 0.80 ALDH1A1 (0.72) HPGDL3MBTL1LMNAALDH1A1MAPK1
SCHEMBL1360763 0.78 HPGD (0.63) HPGDL3MBTL1LMNAALDH1A1MAPK1
SCHEMBL14156792 0.78 HPGD (0.50) HPGDL3MBTL1LMNAALDH1A1MAPK1
SCHEMBL727083 0.77 CA2 (0.55) HPGDLMNAALDH1A1MAPK1SMN1; SMN2

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-0850253-A1 BETAKETOSULFONIC DERIVATIVES SUITABLE TO THE USE AS POLYMERIZATION PHOTOINITIATORS AND PHOTOPOLYMERIZABLE SYSTEMS CONTAINING THE SAME LAMBERTI S.p.A. (IT) 1998-07-01 EP disclosed
WO-1997010270-A1 BETAKETOSULFONIC DERIVATIVES SUITABLE TO THE USE AS POLYMERIZATION PHOTOINITIATORS AND PHOTOPOLYMERIZABLE SYSTEMS CONTAINING THE SAME LAMBERTI S.P.A. (IT) 1997-03-20 WO disclosed