SCHEMBL4733260

SCHEMBL4733260

CCCCOOOC(=O)C(=CC(=O)O)C(=O)c1cccc(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
PLA2G4A P47712 2/20 0.37
HPGD P15428 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
ALOX5 P09917 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
RXRA P19793 1/20 0.34
PARP1 P09874 1/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL5007689 0.79 ALDH1A1 (0.38) TDP1SMN1; SMN2ALDH1A1MAPTPARP1
SCHEMBL4732199 0.77 PLA2G4A (0.41) PLA2G4ATDP1ALDH1A1
SCHEMBL4733232 0.76 SMN1; SMN2 (0.36) TDP1SMN1; SMN2ALDH1A1MAPTPARP1
SCHEMBL4733252 0.72 CCNE2 (0.41) CCNE2CCNE1CDK2HPGDTDP1
SCHEMBL1407999 0.70 SMN1; SMN2 (0.47) HPGDTDP1SMN1; SMN2NPC1CYP1A2
SCHEMBL4733264 0.69 SMN1; SMN2 (0.41) CCNE2CCNE1CDK2HPGDTDP1
SCHEMBL4733257 0.69 SMN1; SMN2 (0.41) CCNE2CCNE1CDK2HPGDTDP1
SCHEMBL899627 0.68 LMNA (0.54) TDP1SMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL4015579 0.68 HPGD (0.46) HPGDTDP1TAS1R3TAS1R1SMN1; SMN2
SCHEMBL1408000 0.68 PLA2G4B (0.49) PLA2G4APLA2G4B

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
WO-2008057705-A1 FOAMED PLASTIC STRUCTURES NOVA CHEMICALS INC. (US) 2008-05-15 WO disclosed