SCHEMBL14399043

SCHEMBL14399043

COc1ccc(CC(=O)NC(C)CCc2ccccc2)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.73
KMT2A Q03164 8/20 0.71
MEN1 O00255 4/20 0.71
TAS1R3 Q7RTX0 2/20 0.62
TAS1R1 Q7RTX1 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 1/20 0.56

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
SCHEMBL5323935 0.92 ALDH1A1 (0.66) ALDH1A1KMT2AMEN1TAS1R3TAS1R1
SCHEMBL9169977 0.91 KMT2A (0.79) ALDH1A1KMT2AMEN1TAS1R3TAS1R1
SCHEMBL6297588 0.83 ALDH1A1 (0.81) ALDH1A1KMT2AMEN1POLB
SCHEMBL5322502 0.82 ALDH1A1 (0.68) ALDH1A1KMT2AMEN1L3MBTL1POLB
SCHEMBL9829926 0.82 KMT2A (0.65) KMT2AMEN1L3MBTL1POLB
SCHEMBL9829918 0.82 KMT2A (0.65) KMT2AMEN1L3MBTL1POLB
SCHEMBL28901354 0.81 KMT2A (0.77) ALDH1A1KMT2AMEN1POLB
SCHEMBL29924236 0.81 KMT2A (0.77) ALDH1A1KMT2AMEN1POLB
SCHEMBL29924325 0.81 KMT2A (0.77) ALDH1A1KMT2AMEN1POLB
SCHEMBL28901353 0.81 KMT2A (0.77) ALDH1A1KMT2AMEN1POLB

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-2007120083-A1 THE USE OF CARBOXAMIDE DERIVATIVES IN THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF INFLAMMATORY, ALLERGIC AND DERMATOLOGICAL CONDITIONS ASTRAZENECA AB (SE) 2007-10-25 WO disclosed