SCHEMBL3899260

SCHEMBL3899260

CCCC(C(=O)O)P(=O)(OC)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.43
AKR1A1 P14550 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43
HRH1 P35367 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.40
LMNA P02545 2/20 0.40
FDPS P14324 1/20 0.37
FOLH1 Q04609 1/20 0.36
GRIK1 P39086 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 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
SCHEMBL787792 0.88 CA2 (0.44) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9184149 0.83 FOLH1 (0.36) LMNAFOLH1CYP2C19
SCHEMBL6579012 0.83 LMNA (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL9181835 0.82 FOLH1 (0.59) FOLH1GRIK1SLC1A3SLC1A2SLC1A1
SCHEMBL11350155 0.82 CA1 (0.41) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL194844 0.82 POLB (0.42) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL10875658 0.77 FOLH1 (0.38) TDP1LMNAFOLH1CYP2C19CA2
SCHEMBL31217556 0.76 ALOX15 (0.40)
SCHEMBL2978558 0.76 CHRM1 (0.48) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2905376 0.76 FOLH1 (0.61) CHRM1AKR1A1CHRM3HTR2AHTR2C

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-1554330-B1 PARTIALLY ESTER-EXCHANGED SIPM AND PROCESS THEREWITH INVISTA TECH SARL (CH) 2009-03-11 EP claimed
EP-1615934-B1 TITANIUM CHELATE DISPERSIONS DU PONT (US) 2007-06-27 EP claimed