SCHEMBL9416554

SCHEMBL9416554

COc1cc(CC(=O)N2CCc3cc(O)c(OC)cc3C2)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.67
NPC1 O15118 1/20 0.67
ABCB1 P08183 2/20 0.65
ABCC1 P33527 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.57
DHCR7 Q9UBM7 2/20 0.55
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPT P10636 3/20 0.51
PDE4B Q07343 1/20 0.51
HPGD P15428 1/20 0.51
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL30133462 0.83 KMT2A (0.58) KMT2ANPC1ABCB1ABCC1SMN1; SMN2
SCHEMBL3504748 0.83 KMT2A (0.58) KMT2ANPC1ABCB1ABCC1SMN1; SMN2
SCHEMBL11743606 0.83 KMT2A (0.58) KMT2ANPC1ABCB1ABCC1SMN1; SMN2
SCHEMBL8791190 0.81 KMT2A (0.71) KMT2ANPC1ABCB1ABCC1SMN1; SMN2
SCHEMBL3504123 0.81 KMT2A (0.60) KMT2ANPC1ABCB1ABCC1SMN1; SMN2
SCHEMBL3507895 0.80 DPP8 (0.57) KMT2ANPC1ABCB1ABCC1CA2
SCHEMBL9416670 0.80 MAPK1 (0.77) KMT2ACA2CA9ALDH1A1KDM4E
SCHEMBL8790957 0.80 KMT2A (0.68) KMT2ANPC1ABCB1ABCC1SMN1; SMN2
SCHEMBL5096699 0.79 KMT2A (0.86) KMT2ANPC1ABCB1ABCC1SMN1; SMN2
SCHEMBL9669207 0.79 MAPK1 (0.56) KMT2ANPC1CA2CA9ALDH1A1

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
EP-0613879-A1 PHELLODENDRINE ANALOGS AND ALLERGY TYPE IV SUPPRESSOR CONTAINING THE SAME AS ACTIVE INGREDIENT TSUMURA & CO. (JP) 1994-09-07 EP disclosed