SCHEMBL6659436

SCHEMBL6659436

CCCCCCCCCCCCCCCCCCC(C(C)=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
GAA P10253 3/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
NR5A2 O00482 1/20 0.39
NR5A1 Q13285 1/20 0.39
F2R P25116 2/20 0.39
KMT2A Q03164 2/20 0.38
ATM Q13315 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
XBP1 P17861 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA2 P00918 3/20 0.37
CA1 P00915 1/20 0.37
KCNH2 Q12809 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL11728968 0.89 GPR84 (0.40) LMNARECQLGAAALDH1A1TDP1
SCHEMBL8419030 0.89 GPR84 (0.40) LMNARECQLGAAALDH1A1TDP1
SCHEMBL11739834 0.89 GPR84 (0.40) LMNARECQLGAAALDH1A1TDP1
SCHEMBL2542322 0.89 GPR84 (0.40) LMNARECQLGAAALDH1A1TDP1
SCHEMBL39475 0.89 GPR84 (0.40) LMNARECQLGAAALDH1A1TDP1
SCHEMBL27548040 0.84 ESR1 (0.44) LMNAGAAALDH1A1NR5A2NR5A1
SCHEMBL4593922 0.82 ELANE (0.45) LMNAF2RKCNH2PTGS2IDH1
SCHEMBL10764109 0.81 ESR1 (0.44) LMNAGAAALDH1A1NR5A2NR5A1
SCHEMBL5709911 0.80 KCNH2 (0.45) LMNARECQLGAAALDH1A1NR5A2
SCHEMBL11644932 0.80 PPARG (0.40) GAAALDH1A1F2RKMT2AATM

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
EP-1077903-B1 RADIATION-CURABLE, OPTICAL FIBER COATING SYSTEM DSM IP ASSETS BV (NL) 2004-08-11 EP disclosed