SCHEMBL7047684

SCHEMBL7047684

CCCCCc1cc(C(C)(C)c2cc(CCCCC)c(OCCO)c(CCCCC)c2)cc(CCCCC)c1OCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
CYP3A4 P08684 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
ALOX5 P09917 7/20 0.36
CNR2 P34972 7/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
TYR P14679 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL11996305 0.83 MAPK1 (0.47) MEN1CYP3A4KMT2AUSP2ALDH1A1
SCHEMBL15033261 0.83 MEN1 (0.40) MEN1CYP3A4KMT2AUSP2ALDH1A1
SCHEMBL16800504 0.83 CYP3A4 (0.45) MEN1CYP3A4KMT2AUSP2ALDH1A1
SCHEMBL7048814 0.82 ALOX15 (0.37) MEN1CYP3A4KMT2AUSP2ALDH1A1
SCHEMBL17610553 0.78 MAPK1 (0.46) MEN1CYP3A4KMT2AUSP2ALDH1A1
SCHEMBL8682965 0.75 CYP3A4 (0.46) MEN1CYP3A4KMT2AUSP2ALDH1A1
SCHEMBL17029455 0.74 ALOX15 (0.36) ALDH1A1MAPK1NR1H2NR1H3ALOX15
SCHEMBL11800080 0.74 PTGS2 (0.50) MEN1CYP3A4KMT2AALDH1A1LMNA
SCHEMBL347042 0.73 HTR1A (0.43) MEN1CYP3A4KMT2AALDH1A1CASP1
SCHEMBL5501321 0.72 NR1H2 (0.39) CYP3A4ALDH1A1SMN1; SMN2NR1H2NR1H3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0751183-B1 Thermo-shrinkable polyester films TOYO BOSEKI (JP) 2003-04-09 EP disclosed
EP-0271928-B1 Thermo-shrinkable polyester film TOYO BOSEKI (JP) 1997-04-16 EP disclosed
US-4996291-A Wrapping material TOYO BOSEKI KABUSHIKI KAISHA (JP) 1991-02-26 US disclosed
EP-0271928-A2 Thermo-shrinkable polyester film Toyo Boseki Kabushiki Kaisha (JP) 1988-06-22 EP disclosed