SCHEMBL8368998

SCHEMBL8368998

C=C1C(C)=C(CO)C(=O)C(OC)=C1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
LMNA P02545 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
PGR P06401 1/20 0.47
MAOA P21397 1/20 0.47
TBXA2R P21731 1/20 0.47
MAPK1 P28482 1/20 0.47
AVPR2 P30518 1/20 0.47
HTR2B P41595 1/20 0.47
HTT P42858 1/20 0.47
PDE3A Q14432 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SLC29A1 Q99808 1/20 0.47
IDO1 P14902 2/20 0.42
ALDH1A1 P00352 2/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL7393149 0.84 MAPT (0.62) MAPTTDP1LMNACYP3A4CYP2D6
SCHEMBL10080086 0.80 MAPT (0.77) MAPTTDP1LMNACYP3A4CYP2D6
SCHEMBL16231160 0.80 MAPT (0.50) MAPTTDP1LMNACYP3A4CYP2D6
SCHEMBL5143251 0.75 MAPT (0.51) MAPTTDP1LMNACYP3A4CYP2D6
SCHEMBL13431190 0.72 MAPT (0.49) MAPTTDP1LMNACYP3A4CYP2D6
SCHEMBL5141777 0.70 MAPT (0.51) MAPTTDP1LMNACYP3A4CYP2D6
SCHEMBL7364265 0.69 MAPT (0.74) MAPTTDP1LMNACYP3A4CYP2D6
SCHEMBL13949416 0.67 APEX1 (0.41) MAPTTDP1LMNACYP3A4CYP2D6
SCHEMBL5146178 0.66 MAPT (0.64) MAPTTDP1LMNACYP3A4CYP2D6
SCHEMBL13033957 0.66 MAPT (0.61) MAPTTDP1LMNACYP3A4CYP2D6

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
EP-1423396-B1 SYNTHESIS OF TRIPHENYLPHOSPHONIUM QUINOLS AND QUINONES ANTIPODEAN PHARMACEUTICALS INC (US) 2011-10-05 EP disclosed
WO-2003016323-A1 SYNTHESIS OF TRIPHENYLPHOSPHONIUM QUINOLS SND QUINONES ANTIPODEAN BIOTECHNOLOGY LIMITED (NZ) 2003-02-27 WO disclosed