SCHEMBL6740684

SCHEMBL6740684

CC[n+]1ccc(Cl)c2cc(C=O)ccc21.CC[n+]1ccc(Cl)c2cc(C=O)ccc21.CC[n+]1ccc(Cl)c2cc(C=O)ccc21.CC[n+]1ccc(Cl)c2cc(C=O)ccc21.CC[n+]1ccc(Cl)c2cc(C=O)ccc21.CC[n+]1ccc(Cl)c2cc(C=O)ccc21.CC[n+]1ccc(Cl)c2cc(C=O)ccc21.CC[n+]1ccc(Cl)c2cc(C=O)ccc21.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.36
VCAM1 P19320 1/20 0.35
ALDH3A1 P30838 3/20 0.35
ALDH1A3 P47895 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 5/20 0.33
KDM4E B2RXH2 4/20 0.33
MEN1 O00255 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.32
NSD2 O96028 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
PPARG P37231 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL7168985 0.92 PTGER4 (0.41) PTGER4VCAM1ALDH3A1ALDH1A3ALDH1A1
SCHEMBL6334825 0.90 PTGER4 (0.38) PTGER4VCAM1ALDH3A1ALDH1A3ALDH1A1
SCHEMBL6741615 0.79 HSD17B10 (0.39) VCAM1ALDH1A1MAPTKDM4EMEN1
SCHEMBL6743936 0.76 KDM4E (0.39) ALDH1A1MAPTKDM4EMEN1RAB9A
SCHEMBL6743884 0.74 CHKA (0.39)
SCHEMBL6744503 0.71 HSD17B10 (0.39) VCAM1ALDH1A1MAPTKDM4EKMT2A
SCHEMBL6334754 0.70 HSD17B10 (0.44) VCAM1ALDH1A1MAPTKDM4EMEN1
SCHEMBL6333065 0.69 HSD17B10 (0.40) VCAM1ALDH1A1MAPTKDM4EMEN1
SCHEMBL6340569 0.69 KDM4E (0.39) VCAM1MAPTKDM4EHSD17B10
SCHEMBL1426139 0.66 KDM4E (0.40) ALDH1A1MAPTKDM4EMEN1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404289-A1 1-BENZOPYRANE-DERIVATIVES AND COLOURING AGENTS CONTAINING THE SALTS THEREOF Wella Aktiengesellschaft (DE) 2004-04-07 EP claimed
WO-2003000214-A1 1-BENZOPYRANE-DERIVATIVES AND COLOURING AGENTS CONTAINING THE SALTS THEREOF WELLA AKTIENGESELLSCHAFT (DE) 2003-01-03 WO claimed
EP-1404289-A1 1-BENZOPYRANE-DERIVATIVES AND COLOURING AGENTS CONTAINING THE SALTS THEREOF Wella Aktiengesellschaft (DE) 2004-04-07 EP disclosed
WO-2003000214-A1 1-BENZOPYRANE-DERIVATIVES AND COLOURING AGENTS CONTAINING THE SALTS THEREOF WELLA AKTIENGESELLSCHAFT (DE) 2003-01-03 WO disclosed