SCHEMBL6746773

SCHEMBL6746773

CCOC(=O)C(=O)/C(=N/Nc1ccccc1)C(=O)c1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.52
GAA P10253 4/20 0.52
ALDH1A1 P00352 6/20 0.51
NPSR1 Q6W5P4 3/20 0.51
HPGD P15428 1/20 0.51
ATM Q13315 1/20 0.51
KYAT1 Q16773 1/20 0.50
MAPT P10636 8/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL6746778 1.00 LMNA (0.52) LMNAGAAALDH1A1NPSR1HPGD
SCHEMBL6751587 0.90 ALDH1A1 (0.56) LMNAGAAALDH1A1NPSR1HPGD
SCHEMBL6744870 0.90 ALDH1A1 (0.56) LMNAGAAALDH1A1NPSR1HPGD
SCHEMBL6769983 0.88 MAPT (0.50) LMNAGAAALDH1A1NPSR1HPGD
SCHEMBL6769981 0.88 MAPT (0.50) LMNAGAAALDH1A1NPSR1HPGD
SCHEMBL11386114 0.87 KYAT1 (0.55) LMNAGAAALDH1A1NPSR1HPGD
SCHEMBL11386094 0.87 KYAT1 (0.55) LMNAGAAALDH1A1NPSR1HPGD
SCHEMBL23348046 0.85 GAA (0.58) LMNAGAAALDH1A1NPSR1HPGD
SCHEMBL6748634 0.81 MAPT (0.53) LMNAGAAALDH1A1NPSR1HPGD
SCHEMBL6748632 0.81 MAPT (0.53) LMNAGAAALDH1A1NPSR1HPGD

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
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-6602907-B1 Treatment of breast cancer UNIVERSITY OF CENTRAL FLORIDA 2003-08-05 US disclosed