SCHEMBL2034409

SCHEMBL2034409

CCCCCCCCc1c(C(=O)Oc2cc(C(=O)O)cc(O)c2O)cc(O)c(O)c1O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
POLA1 P09884 1/20 0.51
ANTXR2 P58335 1/20 0.51
ALOX5 P09917 4/20 0.44
ESR1 P03372 1/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
PTGS2 P35354 1/20 0.43
KAT8 Q9H7Z6 2/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL2035001 1.00 POLB (0.51) POLBPOLA1ANTXR2ALOX5ESR1
SCHEMBL11234283 0.90 POLB (0.56) POLBPOLA1ANTXR2ESR1PTGS2
SCHEMBL2292179 0.87 ESR1 (0.63) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
Gallic Acid SCHEMBL6897461 0.85 KAT8 (0.49) ALOX5ESR1AKR1C4AKR1C3AKR1C2
Gallic Acid SCHEMBL29061494 0.85 KAT8 (0.49) ALOX5ESR1AKR1C4AKR1C3AKR1C2
SCHEMBL2555282 0.82 ESR1 (0.61) ESR1AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL5709508 0.80 KAT8 (0.55) ALOX5KAT8PPARA
SCHEMBL719922 0.80 KAT8 (0.55) ALOX5KAT8PPARA
SCHEMBL216726 0.80 KAT8 (0.55) ALOX5KAT8PPARA
SCHEMBL9061592 0.80 KAT8 (0.55) ALOX5KAT8PPARA

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
US-20110209390-A1 Antioxidant Additive for Biodiesel Fuels LANXESS SOLUTIONS US INC. 2011-09-01 US disclosed
US-7964002-B2 Antioxidant additive for biodiesel fuels CHEMTURA CORPORATION (US) 2011-06-21 US disclosed