SCHEMBL14097166

SCHEMBL14097166

CCCCCCOCCOCCOc1ccc(OC(C)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.57
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
PLA2G4B P0C869 2/20 0.55
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPC1 O15118 2/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
NR5A1 Q13285 1/20 0.54
CYP3A4 P08684 2/20 0.54
MEN1 O00255 1/20 0.54
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPK1 P28482 1/20 0.54
CASP1 P29466 1/20 0.54
KMT2A Q03164 1/20 0.54
SLCO1B3 Q9NPD5 1/20 0.54
SLCO1B1 Q9Y6L6 1/20 0.54

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
SCHEMBL8081503 0.92 TP53 (0.65) RARBTP53TSHRPLA2G4BLMNA
SCHEMBL8081129 0.92 TP53 (0.65) RARBTP53TSHRPLA2G4BLMNA
SCHEMBL8080249 0.92 TP53 (0.65) RARBTP53TSHRPLA2G4BLMNA
SCHEMBL8081520 0.92 TP53 (0.65) RARBTP53TSHRPLA2G4BLMNA
SCHEMBL8072237 0.92 TP53 (0.65) RARBTP53TSHRPLA2G4BLMNA
SCHEMBL2406965 0.91 TP53 (0.62) RARBTP53TSHRPLA2G4BLMNA
SCHEMBL8350895 0.87 TP53 (0.56) TP53TSHRPLA2G4BLMNASMN1; SMN2
SCHEMBL8674737 0.87 LMNA (0.55) RARBTP53LMNASMN1; SMN2CYP3A4
SCHEMBL7733877 0.85 GAA (0.73) RARBTP53TSHRPLA2G4BNR5A1
SCHEMBL7738822 0.85 GAA (0.73) RARBTP53TSHRPLA2G4BNR5A1

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-20080194441-A1 GREASE COMPOSITION, VISCOUS AGENT, AND MECHANICAL ELEMENT FUJIFILM CORPORATION (JP) 2008-08-14 US disclosed