SCHEMBL13413481

SCHEMBL13413481

COC(=O)c1ccc(-c2ccc(OCc3ccc(-c4ccc(OCc5ccc(C)cc5)c(OCc5ccc(C)cc5)c4)cc3)c(OCc3ccc(-c4ccc(OCc5ccc(C)cc5)c(OCc5ccc(C)cc5)c4)cc3)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
RAB9A P51151 4/20 0.55
LMNA P02545 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TDP1 Q9NUW8 1/20 0.53
SMPD1 P17405 3/20 0.52
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 3/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
CTSK P43235 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47

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
SCHEMBL13413479 1.00 MAPT (0.58) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL13413471 0.86 MAPT (0.52) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL13413472 0.86 MAPT (0.52) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL13448416 0.84 SMN1; SMN2 (0.53) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL13448415 0.84 SMN1; SMN2 (0.53) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL14220798 0.84 MAPT (0.72) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL2801658 0.84 MAPT (0.72) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL14512401 0.80 MAPT (0.52) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL13448171 0.79 MAPT (0.65) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL23434862 0.78 MAPT (0.54) MAPTSMN1; SMN2CYP1A2CYP3A4CYP2C9

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
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