SCHEMBL13965652

SCHEMBL13965652

CC#Cc1cc(OCCCCCCCCCC)c(C#Cc2ccccc2)cc1OCCCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
LTA4H P09960 2/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TLR8 Q9NR97 2/20 0.40
NOS1 P29475 1/20 0.40
NR1I2 O75469 2/20 0.40
CHRM2 P08172 2/20 0.40
ADRA2A P08913 2/20 0.40
OPRK1 P41145 2/20 0.40
HTR2B P41595 2/20 0.40
SLC6A3 Q01959 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CHUK O15111 1/20 0.39
DAPK3 O43293 1/20 0.39

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
SCHEMBL12431348 0.94 LTA4H (0.46) TSHRLTA4HALDH1A1HPGDTLR8
SCHEMBL6884008 0.94 LTA4H (0.46) TSHRLTA4HALDH1A1HPGDTLR8
SCHEMBL13965700 0.89 TSHR (0.35) TSHRLTA4HALDH1A1HPGDTLR8
SCHEMBL13965659 0.85 LTA4H (0.39) TSHRLTA4HALDH1A1HPGDTLR8
SCHEMBL18470977 0.81 ALDH1A1 (0.36) TSHRLTA4HALDH1A1HPGDTLR8
SCHEMBL9907187 0.81 ALDH1A1 (0.41) TSHRALDH1A1HPGDTLR8CHUK
SCHEMBL12602848 0.81 ALDH1A1 (0.41) TSHRALDH1A1HPGDTLR8CHUK
SCHEMBL24819416 0.80 ALDH1A1 (0.40) TSHRALDH1A1HPGDTLR8NR1I2
SCHEMBL13818422 0.80 ALDH1A1 (0.40) TSHRALDH1A1HPGDNR1I2CHRM2
SCHEMBL14366092 0.79 MMP2 (0.49) ALDH1A1HPGDNR1I2CHRM2ADRA2A

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-7479516-B2 Nanocomposites and methods thereto ZYVEX PERFORMANCE MATERIALS, LLC (US) 2009-01-20 US disclosed
US-20070265379-A1 NANOCOMPOSITES AND METHODS THERETO ZYVEX CORPORATION (US) 2007-11-15 US disclosed