SCHEMBL2898049

SCHEMBL2898049

COc1cc(OC)cc(C(N)(CNCC(C)C)c2cc(OC)cc(OC)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
APP P05067 1/20 0.31
MTNR1A P48039 3/20 0.31
MTNR1B P49286 3/20 0.31
CYP19A1 P11511 1/20 0.30

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
SCHEMBL2901392 0.85 MAOA (0.40) ALDH1A1KMT2ANPC1HPGDRAB9A
SCHEMBL2891291 0.80 ALDH1A1 (0.38) ALDH1A1KMT2APOLBKDM4EGAA
SCHEMBL2898548 0.78 ALDH1A1 (0.42) ALDH1A1KMT2APOLBSMN1; SMN2KDM4E
SCHEMBL2900188 0.74 CYP1A2 (0.39) ALDH1A1KMT2A
SCHEMBL2891401 0.74 HTT (0.46) ALDH1A1KMT2ASMN1; SMN2KDM4EGAA
SCHEMBL1465632 0.71 ALDH1A1 (0.48) ALDH1A1KDM4EGAACYP19A1
SCHEMBL1465845 0.67 ALDH1A1 (0.38) ALDH1A1
SCHEMBL1467139 0.66 ALDH1A1 (0.46) ALDH1A1KMT2A
SCHEMBL2897917 0.65 MAOA (0.42) ALDH1A1KMT2ASMN1; SMN2
SCHEMBL2776692 0.64 ALDH1A1 (0.55) ALDH1A1HPGDSMN1; SMN2CYP19A1

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
EP-2215101-A1 CATIONIC TRANSITION METAL CATALYSTS Kanata Chemical Technologies Inc. (CA) 2010-08-11 EP claimed
WO-2009055912-A1 CATIONIC TRANSITION METAL CATALYSTS KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2009-05-07 WO claimed