SCHEMBL6016077

SCHEMBL6016077

CCCC(CCC)NC(=O)Nc1cc(OC)cc(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
PKM P14618 1/20 0.56
KMT2A Q03164 3/20 0.55
POLB P06746 1/20 0.55
TAS1R3 Q7RTX0 8/20 0.52
TAS1R1 Q7RTX1 8/20 0.52
MEN1 O00255 1/20 0.47

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
SCHEMBL12932742 0.79 KMT2A (0.64) MAPK1PKMKMT2APOLBMEN1
SCHEMBL15925980 0.78 PKM (0.72) PKMKMT2APOLBTAS1R3TAS1R1
SCHEMBL702322 0.76 TAS1R3 (0.81) KMT2APOLBTAS1R3TAS1R1MEN1
SCHEMBL10975839 0.75 KMT2A (0.50) MAPK1KMT2APOLBTAS1R3TAS1R1
SCHEMBL10363494 0.74 ALDH1A1 (0.62) MAPK1PKMKMT2APOLBMEN1
SCHEMBL10363497 0.74 ALDH1A1 (0.62) MAPK1PKMKMT2APOLBMEN1
SCHEMBL5923939 0.74 TAS1R3 (0.68) POLBTAS1R3TAS1R1
SCHEMBL17935791 0.73 SMN1; SMN2 (0.74) MAPK1KMT2APOLBMEN1
SCHEMBL14350863 0.73 KMT2A (0.59) MAPK1KMT2APOLBMEN1
SCHEMBL702263 0.72 TAS1R3 (0.60) PKMKMT2ATAS1R3TAS1R1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012054526-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 WO disclosed