SCHEMBL8809566

SCHEMBL8809566

COc1ccc(CN(C)CCCCc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5sc34)cc2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ OPRM1 P35372 3/20 0.43
▸ TMEM97 Q5BJF2 3/20 0.43
▸ SIGMAR1 Q99720 3/20 0.43
▸ ABCB1 P08183 3/20 0.43
▸ ABCG2 Q9UNQ0 3/20 0.43
▸ OPRK1 P41145 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HCRTR1 O43613 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL8808101 0.99 BCHE (0.43) BCHEACHEOPRM1TMEM97SIGMAR1
SCHEMBL8809632 0.98 BCHE (0.44) BCHEACHEOPRM1TMEM97SIGMAR1
SCHEMBL8807951 0.94 BCHE (0.45) BCHEACHEOPRM1TMEM97SIGMAR1
SCHEMBL8806985 0.92 ABCB1 (0.42) BCHEACHEOPRM1TMEM97SIGMAR1
SCHEMBL8807015 0.91 ABCG2 (0.44) ABCB1ABCG2MAPTTP53POLB
SCHEMBL8808363 0.91 MAOA (0.46) BCHEACHEOPRM1TMEM97SIGMAR1
SCHEMBL8807273 0.90 ABCB1 (0.46) BCHEACHEOPRM1TMEM97SIGMAR1
SCHEMBL8808386 0.90 MAPT (0.45) BCHEACHEABCB1ABCG2MAPT
SCHEMBL8807343 0.89 ABCB1 (0.42) BCHEACHEOPRM1TMEM97SIGMAR1
SCHEMBL8809362 0.89 SMN1; SMN2 (0.43) BCHEACHEOPRM1TMEM97SIGMAR1

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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