SCHEMBL6524006

SCHEMBL6524006

C=C(C(=O)O)C(CCOCC)(CC(=O)OC1CCCCC1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.37
HTT P42858 3/20 0.34
EPHX1 P07099 3/20 0.34
POLB P06746 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CYP19A1 P11511 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6516033 0.89 NAAA (0.48) NAAAHTTEPHX1CYP2C19
SCHEMBL6519172 0.86 NAAA (0.35) NAAAHTTEPHX1CYP2C19CYP19A1
SCHEMBL6517098 0.85 NAAA (0.48) NAAAHTTEPHX1CYP2C19SMN1; SMN2
SCHEMBL6522368 0.85 NAAA (0.42) NAAAHTTEPHX1KDM4ECYP2C19
SCHEMBL6521091 0.85 CYP2C19 (0.41) NAAAHTTEPHX1KDM4ECYP2C19
SCHEMBL6517217 0.83 NAAA (0.38) NAAAHTTEPHX1CYP2C19SMN1; SMN2
SCHEMBL6523751 0.83 KDM4E (0.34) POLBKDM4ETSHRALDH1A1
SCHEMBL6514986 0.78 THRB (0.41) TSHRALDH1A1
SCHEMBL1070355 0.77 THRB (0.39) TSHRALDH1A1
SCHEMBL6513350 0.77 THRB (0.34) TSHRALDH1A1

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-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed