SCHEMBL13965679

SCHEMBL13965679

CCCCCCCCCCCCOc1cc(C#Cc2cc(OCCCCC(=O)N(CCCCCCCC)CCCCCCCC)c(C#Cc3cc(OCCCCCCCCCCCC)c(C#Cc4ccccc4)cc3OCCCCCCCCCCCC)cc2OCCCCC(=O)N(CCCCCCCC)CCCCCCCC)c(OCCCCCCCCCCCC)cc1C#Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.42
THRB P10828 3/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NR1I2 O75469 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
MAPT P10636 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL13965638 1.00 THRA (0.42) THRATHRBALDH1A1HPGDLMNA
SCHEMBL13965639 0.99 THRA (0.41) THRATHRBALDH1A1HPGDLMNA
SCHEMBL6884008 0.83 LTA4H (0.46) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL12431348 0.83 LTA4H (0.46) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL13965670 0.82 CNR2 (0.44) ALDH1A1LMNACYP3A4NPC1HTT
SCHEMBL13965668 0.81 CNR2 (0.44) ALDH1A1LMNACYP3A4NPC1HTT
SCHEMBL14366092 0.80 MMP2 (0.49) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL14366139 0.80 MMP2 (0.49) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL14366091 0.80 MMP2 (0.51) ALDH1A1HPGDLMNAMEN1KMT2A
SCHEMBL13965651 0.79 ALPI (0.46) THRATHRBALDH1A1HPGDLMNA

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-7479516-B2 Nanocomposites and methods thereto ZYVEX PERFORMANCE MATERIALS, LLC (US) 2009-01-20 US disclosed