SCHEMBL7980787

SCHEMBL7980787

CCCCOCC(=O)N(C)c1cc(NC(=O)/C=C/c2cc(OC)c(O)c(OC)c2)ccc1C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 5/20 0.44
TP53 P04637 4/20 0.44
THRB P10828 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HTT P42858 1/20 0.41
ALOX5 P09917 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
BCHE P06276 3/20 0.39
ACHE P22303 2/20 0.39
KDM1A O60341 2/20 0.39

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
SCHEMBL7980788 1.00 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EMAPTTP53
SCHEMBL6579123 0.97 TP53 (0.46) ALDH1A1HPGDKDM4EMAPTTP53
SCHEMBL6578709 0.97 TP53 (0.46) ALDH1A1HPGDKDM4EMAPTTP53
SCHEMBL6579121 0.97 TP53 (0.46) ALDH1A1HPGDKDM4EMAPTTP53
SCHEMBL6578711 0.97 TP53 (0.46) ALDH1A1HPGDKDM4EMAPTTP53
SCHEMBL7974960 0.95 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EMAPTTP53
SCHEMBL7974963 0.95 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EMAPTTP53
SCHEMBL6578893 0.94 TP53 (0.44) ALDH1A1HPGDKDM4EMAPTTP53
SCHEMBL6578895 0.94 TP53 (0.44) ALDH1A1HPGDKDM4EMAPTTP53
SCHEMBL6579642 0.92 TP53 (0.42) MAPTTP53THRBHTTMEN1

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
US-6271416-B1 O-(HYDROCARBONOXYACETAMIDO)BENZOIC ACID DERIVATIVES AS INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-08-07 US disclosed
US-6136822-A ETHER, HYDROXY QUINOLINONE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-10-24 US disclosed