SCHEMBL7712005

SCHEMBL7712005

CCOC(=O)CCCCCNc1ccc(C=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
KMT2A Q03164 1/20 0.48
LTA4H P09960 4/20 0.46
NAMPT P43490 1/20 0.46
TOP2A P11388 1/20 0.45
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
CYP4Z1 Q86W10 1/20 0.41
PDE5A O76074 1/20 0.40
ELANE P08246 1/20 0.40
EPHX2 P34913 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
SCHEMBL6829473 0.84 ALDH1A1 (0.51) ALDH1A1KMT2ALTA4HNAMPTTOP2A
SCHEMBL8705157 0.84 ALDH1A1 (0.68) ALDH1A1LTA4HNAMPTTOP2ACYP3A4
SCHEMBL11404787 0.84 ALDH1A1 (0.68) ALDH1A1LTA4HNAMPTTOP2ACYP3A4
SCHEMBL6829598 0.83 GAA (0.51) ALDH1A1KMT2ALTA4HNAMPTPOLB
SCHEMBL380632 0.83 ALDH1A1 (0.53) ALDH1A1LTA4HNAMPTTOP2ATSHR
SCHEMBL10107952 0.83 ALDH1A1 (0.52) ALDH1A1KMT2ALTA4HNAMPTTOP2A
SCHEMBL10108013 0.82 ALDH1A1 (0.70) ALDH1A1LTA4HNAMPTTOP2ACYP3A4
SCHEMBL7257224 0.82 LTA4H (0.57) ALDH1A1LTA4HNAMPTPOLBMAPT
SCHEMBL5792896 0.82 GAA (0.53) ALDH1A1KMT2ALTA4HTOP2AALOX15
SCHEMBL11400700 0.81 MAPK1 (0.46) ALDH1A1KMT2APOLB

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-6406667-B1 FLUORESCENT COMPOUNDS FOR CHEMILUMINESCENT COMPOUNDS DADE BEHRING MARBURG GMBH (DE) 2002-06-18 US disclosed
EP-1078265-A1 CHEMILUMINESCENT COMPOSITIONS FOR USE IN DETECTION OF MULTIPLE ANALYTES DADE BEHRING INC. (US) 2001-02-28 EP disclosed
WO-1999042838-A1 CHEMILUMINESCENT COMPOSITIONS FOR USE IN DETECTION OF MULTIPLE ANALYTES DADE BEHRING INC. (US) 1999-08-26 WO disclosed