SCHEMBL2806899

SCHEMBL2806899

NCCNOC(=O)C(O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
MAPK1 P28482 1/20 0.46
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
CYP2D6 P10635 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NAAA Q02083 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
BCAT2 O15382 1/20 0.40
HPGD P15428 1/20 0.39
GABBR2 O75899 1/20 0.39
GABBR1 Q9UBS5 1/20 0.39
CYP2C9 P11712 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38

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
SCHEMBL29047738 0.87 KLK7 (0.46) LMNACYP2D6SMN1; SMN2CYP1A2PKM
SCHEMBL28650264 0.85 KLK7 (0.45) LMNACYP2D6SMN1; SMN2CYP1A2PKM
SCHEMBL28014617 0.79 LMNA (0.48) LMNAMAPK1CES2CES1CYP2D6
SCHEMBL29047733 0.79 MTNR1A (0.40) MAPK1KMT2AALDH1A1TDP1
SCHEMBL6553756 0.78 LMNA (0.47) LMNAMAPK1CES2CES1NAAA
SCHEMBL29214557 0.78 MTNR1A (0.39) MAPK1KMT2AALDH1A1TDP1
SCHEMBL1275430 0.77 LMNA (0.54) LMNAMAPK1CES2CES1CYP2D6
SCHEMBL8876742 0.77 LMNA (0.54) LMNAMAPK1CES2CES1CYP2D6
SCHEMBL27817331 0.76 HPGD (0.49) LMNAMAPK1CES2CES1CYP2D6
SCHEMBL27888601 0.75 LMNA (0.52) LMNAMAPK1CES2CES1CYP2D6

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-8435735-B2 Methods and compounds for detection of molecular targets DAKO DENMARK A/S (DK) 2013-05-07 US disclosed
US-20100240047-A1 METHODS AND COMPOUNDS FOR DETECTION OF MOLECULAR TARGETS DAKO DENMARK APS (DK) 2010-09-23 US disclosed