SCHEMBL8806065

SCHEMBL8806065

COc1ccc(CC(C)NCCCCc2ccc(NC(=O)c3cccc4c(=O)c5cc(F)ccc5sc34)cc2)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 3/20 0.39
▸ ABCB1 P08183 3/20 0.38
▸ ABCG2 Q9UNQ0 3/20 0.38
▸ MAPT P10636 4/20 0.38
▸ TP53 P04637 3/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KLKB1 P03952 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35

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
SCHEMBL8806996 0.90 ABCB1 (0.38) ABCB1ABCG2MAPTTP53RXFP1
SCHEMBL8807018 0.90 MAPT (0.42) SLC2A1ABCB1ABCG2MAPTTP53
SCHEMBL8807995 0.90 MAOA (0.39) ABCG2MAPTTP53RXFP1MEN1
SCHEMBL8807360 0.88 ABCB1 (0.39) ABCB1ABCG2MAPTTP53RXFP1
SCHEMBL8808392 0.87 MAPT (0.45) SLC2A1ABCB1ABCG2MAPTTP53
SCHEMBL8806947 0.85 ABCB1 (0.39) ABCB1ABCG2MAPTTP53RXFP1
SCHEMBL8806058 0.84 ABCB1 (0.43) ABCB1ABCG2TP53RXFP1LMNA
SCHEMBL8806985 0.84 ABCB1 (0.42) ABCB1ABCG2MAPTTP53RXFP1
SCHEMBL8807343 0.83 ABCB1 (0.42) ABCB1ABCG2MAPTTP53RXFP1
SCHEMBL8808244 0.83 MAPT (0.39) SLC2A1ABCG2MAPTTP53MEN1

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-5663179-A CAN SENSITIZE MULTIDRUG RESISTANT CANCER CELLS TO CHEMOTHERAPEUTIC AGENTS LABORATOIRES GLAXO SA (FR) 1997-09-02 — — US disclosed
EP-0649410-B1 ANILIDE DERIVATIVES GLAXO LAB SA (FR) 1997-05-02 — — EP disclosed
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