SCHEMBL8807556

SCHEMBL8807556

COc1ccc(CCN(C)CCCCc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5oc34)cc2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.47
▸ ADORA2B P29275 2/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ABCB1 P08183 6/20 0.44
▸ TP53 P04637 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ ABCG2 Q9UNQ0 2/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ SMPD1 P17405 2/20 0.43
▸ MAPT P10636 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL8808344 0.92 ACHE (0.49) MAOBADORA2BTP53MAPTKDM4E
SCHEMBL8808718 0.89 MAPT (0.48) MAOBADORA2BMEN1KMT2AABCB1
SCHEMBL8789962 0.83 ABCG2 (0.65) MEN1KMT2AABCB1TP53ABCG2
SCHEMBL8790105 0.83 ABCG2 (0.61) MEN1KMT2AABCB1TP53ABCG2
SCHEMBL8830578 0.83 MAOB (0.45) MAOBADORA2BMEN1KMT2AABCB1
SCHEMBL8815521 0.82 ACHE (0.52) MAPTKDM4EALDH1A1LMNANPSR1
SCHEMBL8831005 0.82 MAPT (0.49) MAOBADORA2BMEN1KMT2AABCB1
SCHEMBL8789246 0.81 ABCG2 (0.66) MEN1KMT2AABCB1TP53ABCG2
SCHEMBL8807015 0.80 ABCG2 (0.44) MEN1KMT2AABCB1TP53ABCG2
SCHEMBL8789562 0.80 ABCG2 (0.69) MEN1KMT2AABCB1TP53ABCG2

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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