SCHEMBL11082084

SCHEMBL11082084

CCCCC1C(=O)N(CC2CO2)C(=O)N(CC2CO2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HBB P68871 1/20 0.40
ALDH1A1 P00352 6/20 0.39
CYP1A2 P05177 4/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
PTGS1 P23219 1/20 0.35
RAB9A P51151 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 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
SCHEMBL11086325 0.83 TP53 (0.45) TP53SMN1; SMN2HBBDHFRPOLB
SCHEMBL11599581 0.80 TP53 (0.37) TP53SMN1; SMN2HBBALDH1A1GRM2
SCHEMBL14453335 0.78 TP53 (0.47) TP53SMN1; SMN2HBBMAPTDHFR
SCHEMBL1426468 0.77 ELANE (0.48) TP53SMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL21119006 0.76 TP53 (0.64) TP53SMN1; SMN2HBBALDH1A1CYP1A2
SCHEMBL21119007 0.76 TP53 (0.64) TP53SMN1; SMN2HBBALDH1A1CYP1A2
SCHEMBL10947307 0.76 ALDH1A1 (0.42) TP53SMN1; SMN2HBBALDH1A1CYP1A2
SCHEMBL31681885 0.75 SMN1; SMN2 (0.43) TP53SMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL11076073 0.75 TP53 (0.48) TP53SMN1; SMN2HBBCYP1A2MAPT
SCHEMBL11085438 0.75 TP53 (0.41) TP53SMN1; SMN2HBBCYP3A4CYP2C9

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-4459392-A Method of making and polymer of heat resistant polyester using diglycidilhydantoins, diglycidiluracils, diglycidilbarbituric and isocyanuric acids UNITIKA LIMITED (JP) 1984-07-10 US disclosed