SCHEMBL13413541

SCHEMBL13413541

COc1ccc(COc2ccc(COc3cc(CO)cc(OCc4ccc(OCc5ccc(OC)cc5)c(OCc5ccc(OC)cc5)c4)c3)cc2OCc2ccc(OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
POLB P06746 2/20 0.48
RAB9A P51151 2/20 0.48
APP P05067 5/20 0.46
TUBB1 Q9H4B7 3/20 0.46
TUBB4A P04350 2/20 0.46
TUBB P07437 2/20 0.46
TUBA3C P0DPH7 2/20 0.46
TUBA1B P68363 2/20 0.46
TUBA4A P68366 2/20 0.46
TUBB4B P68371 2/20 0.46
TUBB3 Q13509 2/20 0.46
TUBB2A Q13885 2/20 0.46
TUBB8 Q3ZCM7 2/20 0.46
TUBA3E Q6PEY2 2/20 0.46
TUBA1A Q71U36 2/20 0.46
TUBA1C Q9BQE3 2/20 0.46
TUBB6 Q9BUF5 2/20 0.46
TUBB2B Q9BVA1 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL13413505 0.90 NPC1 (0.57) NPC1POLBRAB9AAPPSMN1; SMN2
SCHEMBL13413555 0.89 APP (0.46) NPC1POLBRAB9AAPPTUBB1
SCHEMBL13413542 0.87 FFAR1 (0.45) NPC1POLBRAB9ATUBB1TUBB4A
SCHEMBL13413469 0.87 MAOB (0.48) NPC1POLBRAB9ATUBB1TUBB4A
SCHEMBL13448124 0.87 SLC2A1 (0.47) NPC1POLBRAB9AAPPTUBB1
SCHEMBL6489381 0.85 NPC1 (0.56) NPC1POLBRAB9AAPPTUBB1
SCHEMBL21377514 0.85 NPC1 (0.63) NPC1POLBRAB9AAPPTUBB1
SCHEMBL13413544 0.85 C5AR1 (0.41) NPC1POLBRAB9AAPPSMN1; SMN2
SCHEMBL13448412 0.83 APP (0.47) NPC1POLBRAB9AAPPTUBB1
SCHEMBL13413545 0.82 NR5A1 (0.48) NPC1RAB9ASMN1; SMN2

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-7671033-B2 Amphiphilic dendritic dipeptides and their self-assembly into helical pores THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-03-02 US disclosed
US-7671033-B2 Amphiphilic dendritic dipeptides and their self-assembly into helical pores THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-03-02 US disclosed