SCHEMBL7759784

SCHEMBL7759784

CCc1c(OCCCCCCCCCCOC(C)=O)c(C(=O)O)c(CC)c(OCCCCCCCCCCOC(C)=O)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.41
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
TSHR P16473 3/20 0.37
PLA2G2A P14555 1/20 0.37
TP53 P04637 1/20 0.37
PTGS2 P35354 1/20 0.37
PLA2G4B P0C869 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 2/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
RARB P10826 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7754588 1.00 ALDH1A1 (0.44) ALDH1A1HTTTDP1POLBAPEX1
SCHEMBL668868 0.87 PLA2G2A (0.50) TDP1TSHRPLA2G2ATP53PLA2G4B
SCHEMBL17186650 0.85 THRA (0.40) HTTTDP1TSHRPLA2G2ATP53
SCHEMBL8100381 0.84 PLA2G2A (0.41) HTTTSHRPLA2G2ATP53PLA2G4B
SCHEMBL8106324 0.84 PLA2G2A (0.41) HTTTSHRPLA2G2ATP53PLA2G4B
SCHEMBL17186600 0.84 PLA2G2A (0.37) HTTTDP1TSHRPLA2G2ATP53
SCHEMBL8106646 0.79 CYSLTR2 (0.35) ALDH1A1TSHRLMNAKMT2A
SCHEMBL8102311 0.79 CYSLTR2 (0.35) ALDH1A1TSHRLMNAKMT2A
SCHEMBL5587043 0.74 PLA2G2A (0.44) TDP1TSHRPLA2G2ATP53PLA2G4B
SCHEMBL5589712 0.74 PLA2G2A (0.44) TDP1TSHRPLA2G2ATP53PLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0754675-B1 Dental materials on basis of liquid crystal monomers IVOCLAR AG (LI) 2001-03-21 EP disclosed
US-6031015-A POLYMERIZABLE POLYESTER OF 1-10 REPEATING UNITS BEING MODIFIED ON BOTH ENDS BY A HYDROXYALKYL (METH)ACRYLATE; SHRINKAGE INHIBITION; LOW VISCOSITY; MECHANICAL STRENGTH; CAN INCLUDE MORE FILLER THAN USUAL IVOCLAR AG (LI) 2000-02-29 US disclosed
EP-0754675-A2 Dental materials on basis of liquid crystal monomers IVOCLAR AG (LI) 1997-01-22 EP disclosed