SCHEMBL7595655

SCHEMBL7595655

CCN(CCC(=O)OC)c1cccc(OC(C)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MTNR1A P48039 10/20 0.44
MTNR1B P49286 10/20 0.44
CYP3A4 P08684 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
ACHE P22303 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
SCHEMBL11242342 0.85 KMT2A (0.56) KMT2AMTNR1AMTNR1BCYP3A4LMNA
SCHEMBL7819158 0.81 ALDH1A1 (0.61) KMT2AMTNR1AMTNR1BCYP3A4LMNA
SCHEMBL11417448 0.81 GFER (0.51) KMT2ACYP3A4LMNAMEN1KDM4E
SCHEMBL27993892 0.80 ALDH1A1 (0.41) KMT2AMTNR1AMTNR1BCYP3A4LMNA
SCHEMBL11424229 0.80 POLB (0.47) KMT2AMTNR1AMTNR1BMEN1ALDH1A1
SCHEMBL9059920 0.79 CYP3A4 (0.51) KMT2AMTNR1AMTNR1BCYP3A4LMNA
SCHEMBL7038319 0.79 MEN1 (0.49) KMT2ALMNAMEN1KDM4EALDH1A1
SCHEMBL6365445 0.79 MTNR1A (0.54) MTNR1AMTNR1BLMNAKDM4EALDH1A1
SCHEMBL8415550 0.78 LMNA (0.48) KMT2AMTNR1AMTNR1BCYP3A4LMNA
SCHEMBL9013746 0.78 MAPT (0.46) KMT2AMTNR1AMTNR1BLMNAMEN1

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-1002020-B1 DYE INTERMEDIATE AND METHOD TO MANUFACTURE DYES AMERSHAM PLC (GB) 2002-11-06 EP disclosed
US-6458966-B1 Dye intermediate and method NYCOMED AMERSHAM PLC (GB) 2002-10-01 US disclosed
EP-1002020-A1 DYE INTERMEDIATE AND METHOD TO MANUFACTURE DYES Nycomed Amersham plc (GB) 2000-05-24 EP disclosed
WO-1999007793-A1 DYE INTERMEDIATE AND METHOD TO MANUFACTURE DYES NYCOMED AMERSHAM PLC (GB) 1999-02-18 WO disclosed