SCHEMBL14366139

SCHEMBL14366139

CCCCCCCCCCCCOc1cc(C#Cc2ccccc2)c(OCCCCCCCCCC)cc1C#Cc1cc(OCCCCC(=O)C(CCCCCCCC)CCCCCCCC)c(C#Cc2cc(OCCCCCCCCCCCC)c(C#Cc3ccccc3)cc2OCCCCCCCCCCCC)cc1OCCCCC(=O)C(CCCCCCCC)CCCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.49
MMP9 P14780 2/20 0.49
MMP12 P39900 2/20 0.49
PPARG P37231 4/20 0.45
PPARA Q07869 2/20 0.45
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CYSLTR2 Q9NS75 2/20 0.41
CYSLTR1 Q9Y271 2/20 0.41
HDAC6 Q9UBN7 3/20 0.40
MEN1 O00255 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 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

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
SCHEMBL14366092 1.00 MMP2 (0.49) MMP2MMP9MMP12PPARGPPARA
SCHEMBL14366091 0.99 MMP2 (0.51) MMP2MMP9MMP12PPARGPPARA
SCHEMBL6884008 0.83 LTA4H (0.46) ALDH1A1HPGDHDAC6MEN1NR1I2
SCHEMBL12431348 0.83 LTA4H (0.46) ALDH1A1HPGDHDAC6MEN1NR1I2
SCHEMBL13965638 0.80 THRA (0.42) ALDH1A1HPGDCYSLTR2CYSLTR1HDAC6
SCHEMBL13965679 0.80 THRA (0.42) ALDH1A1HPGDCYSLTR2CYSLTR1HDAC6
SCHEMBL13965639 0.80 THRA (0.41) MMP2MMP9MMP12ALDH1A1HPGD
SCHEMBL13965651 0.79 ALPI (0.46) ALDH1A1HPGDLMNACYP3A4
SCHEMBL13965652 0.79 TSHR (0.42) ALDH1A1HPGDHDAC6MEN1NR1I2
SCHEMBL14366094 0.76 CNR2 (0.46) PPARGPPARA

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-20070265379-A1 NANOCOMPOSITES AND METHODS THERETO ZYVEX CORPORATION (US) 2007-11-15 US disclosed