SCHEMBL6745324

SCHEMBL6745324

COc1ccc(C(=O)/C(=N\Nc2ccccc2)C(=O)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.57
ALDH1A1 P00352 9/20 0.57
LMNA P02545 5/20 0.57
KMT2A Q03164 7/20 0.55
MEN1 O00255 6/20 0.55
GAA P10253 4/20 0.55
NPSR1 Q6W5P4 2/20 0.55
GFER P55789 1/20 0.55
CES2 O00748 2/20 0.54
CES1 P23141 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 2/20 0.50
MAPK1 P28482 3/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KCNK9 Q9NPC2 1/20 0.47
RECQL P46063 1/20 0.46
MITF O75030 1/20 0.45

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
SCHEMBL6745327 1.00 MAPT (0.57) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL6746796 0.91 MAPT (0.56) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL6746795 0.91 MAPT (0.56) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL6751574 0.85 MAPT (0.62) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL6751571 0.85 MAPT (0.62) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL6745532 0.80 MAPT (0.58) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL6768805 0.80 MAPT (0.58) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL6749820 0.79 MAPT (0.56) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL6749823 0.79 MAPT (0.56) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL15331286 0.78 MAPT (0.67) MAPTALDH1A1LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713503-B1 1-(2,4-DIMETHYL-PHENYL)-2,4-DIHYDROXY-3-(4-METHYL-BENZOYL)-5-OXO-2,5 -DIHYDRO-1H-PYRROLE-2-CARBOXYLIC ACID METHYL ESTER UNIVERSITY OF CENTRAL FLORIDA 2004-03-30 US disclosed
US-6713503-B1 1-(2,4-DIMETHYL-PHENYL)-2,4-DIHYDROXY-3-(4-METHYL-BENZOYL)-5-OXO-2,5 -DIHYDRO-1H-PYRROLE-2-CARBOXYLIC ACID METHYL ESTER UNIVERSITY OF CENTRAL FLORIDA 2004-03-30 US disclosed
US-6703426-B1 4-(4-CHLORO-PHENYL)-2,4-DIOXO-3- (PHENYL-HYDRAZONO)-BUTYRIC ACID ETHYL ESTER IS ADMINISTERED UNIVERSITY OF CENTRAL FLORIDA 2004-03-09 US disclosed
US-6703426-B1 4-(4-CHLORO-PHENYL)-2,4-DIOXO-3- (PHENYL-HYDRAZONO)-BUTYRIC ACID ETHYL ESTER IS ADMINISTERED UNIVERSITY OF CENTRAL FLORIDA 2004-03-09 US disclosed
US-6638975-B1 Treatment of breast cancer UNIVERSITY OF CENTRAL FLORIDA 2003-10-28 US disclosed
US-6638975-B1 Treatment of breast cancer UNIVERSITY OF CENTRAL FLORIDA 2003-10-28 US disclosed
US-6602907-B1 Treatment of breast cancer UNIVERSITY OF CENTRAL FLORIDA 2003-08-05 US disclosed
US-6602907-B1 Treatment of breast cancer UNIVERSITY OF CENTRAL FLORIDA 2003-08-05 US disclosed