SCHEMBL2750641

SCHEMBL2750641

CCCCCCCCNC(=O)C(O)C(O)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.57
FNTB P49356 1/20 0.57
NAAA Q02083 2/20 0.55
EPHX1 P07099 9/20 0.53
DPP7 Q9UHL4 2/20 0.51
RRM1 P23921 1/20 0.51
METAP2 P50579 1/20 0.51
GNAI3 P08754 1/20 0.49
GNAO1 P09471 1/20 0.49
GNAI1 P63096 1/20 0.49
MMP8 P22894 1/20 0.49
CASP2 P42575 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL7769536 1.00 FNTA (0.57) FNTAFNTBNAAAEPHX1DPP7
SCHEMBL9548564 0.92 EPHX1 (0.61) FNTAFNTBNAAAEPHX1DPP7
SCHEMBL2750645 0.92 EPHX1 (0.61) FNTAFNTBNAAAEPHX1DPP7
SCHEMBL7769538 0.92 EPHX1 (0.61) FNTAFNTBNAAAEPHX1DPP7
SCHEMBL4333323 0.92 EPHX1 (0.61) FNTAFNTBNAAAEPHX1DPP7
SCHEMBL12354359 0.90 DPP7 (0.60) FNTAFNTBNAAAEPHX1DPP7
SCHEMBL20875842 0.89 FNTA (0.54) FNTAFNTBNAAAEPHX1DPP7
SCHEMBL20875767 0.89 FNTA (0.54) FNTAFNTBNAAAEPHX1DPP7
SCHEMBL20875810 0.89 FNTA (0.54) FNTAFNTBNAAAEPHX1DPP7
SCHEMBL20875781 0.89 FNTA (0.54) FNTAFNTBNAAAEPHX1DPP7

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-8178474-B1 Functionalised solid support for alpha-oxoaldehyde synthesis INSTITUT PASTEUR DE LILLE (FR) 2012-05-15 US disclosed
EP-0721446-B1 CHIRAL SURFACTANTS AND METHODS FOR THEIR USE IN CHIRAL SEPARATIONS WATERS CORP (US) 2001-07-18 EP disclosed