SCHEMBL7768689

SCHEMBL7768689

CCCCOC(O)C=Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
BCHE P06276 5/20 0.43
TDP1 Q9NUW8 1/20 0.43
ACHE P22303 3/20 0.42
KDM4E B2RXH2 3/20 0.41
RELA Q04206 1/20 0.41
CHRNA7 P36544 3/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHRNB2 P17787 1/20 0.40

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
SCHEMBL20977996 1.00 MEN1 (0.44) MEN1KMT2ABCHETDP1ACHE
SCHEMBL18903847 0.94 EGFR (0.43) MEN1KMT2ABCHETDP1ACHE
SCHEMBL7923413 0.83 MEN1 (0.49) MEN1KMT2ABCHEACHERELA
SCHEMBL7923406 0.83 MEN1 (0.49) MEN1KMT2ABCHEACHERELA
SCHEMBL23372991 0.82 MEN1 (0.45) MEN1KMT2ABCHETDP1ACHE
SCHEMBL21443790 0.81 AHR (0.50) TDP1KDM4ECHRNA7MAPTALDH1A1
SCHEMBL10623999 0.78 MEN1 (0.42) MEN1KMT2ABCHETDP1ACHE
SCHEMBL27529817 0.77 TDP1 (0.42) BCHETDP1ACHEALDH1A1TP53
SCHEMBL16307037 0.77 MEN1 (0.48) MEN1KMT2ABCHETDP1ACHE
SCHEMBL9469330 0.75 MEN1 (0.42) MEN1KMT2AKDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670184-B1 Method of demineralizing water or an aqueous solution MITSUBISHI CHEM CORP (JP) 2001-09-05 EP disclosed
US-5518627-A DEMINERALIZATION, BASIC ANION EXCHANGE RESIN MITSUBISHI CHEMICAL CORPORATION (JP) 1996-05-21 US disclosed
EP-0670184-A2 Method of demineralizing water or an aqueous solution Mitsubishi Chemical Corporation (JP) 1995-09-06 EP disclosed