SCHEMBL9328819

SCHEMBL9328819

CCOC(CCCNC(=O)C(F)(F)F)OCC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
POLB P06746 1/20 0.55
EPHX1 P07099 2/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CA3 P07451 2/20 0.49
CA5A P35218 2/20 0.49
CA5B Q9Y2D0 2/20 0.49
CA14 Q9ULX7 2/20 0.49
CA12 O43570 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL8940406 0.90 EPHX1 (0.49) ALDH1A1SMN1; SMN2POLBEPHX1MEN1
SCHEMBL6062528 0.79 EPHX1 (0.48) ALDH1A1SMN1; SMN2EPHX1MEN1KMT2A
SCHEMBL3717942 0.79 EPHX1 (0.48) EPHX1MEN1KMT2ACA12CA2
SCHEMBL1547403 0.79 KDM4E (0.50) ALDH1A1EPHX1MEN1KMT2ACA12
SCHEMBL11256841 0.78 EPHX1 (0.39) ALDH1A1SMN1; SMN2POLBEPHX1MEN1
SCHEMBL20087451 0.77 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2POLBEPHX1MEN1
SCHEMBL8377830 0.76 ACHE (0.47) EPHX1MEN1KMT2AGLAGAA
SCHEMBL14240966 0.76 EPHX1 (0.46) ALDH1A1SMN1; SMN2EPHX1MEN1KMT2A
SCHEMBL5611916 0.75 CASP2 (0.55) ALDH1A1EPHX1MEN1KMT2A
SCHEMBL11204612 0.74 EPHX1 (0.47) ALDH1A1SMN1; SMN2POLBEPHX1MEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375040-B1 Process for the preparation of retro-inverso peptides and new intermediates thereof SCLAVO SPA (IT) 1994-03-16 EP disclosed
US-5116947-A PROCESS FOR THE PREPARATION OF RETRO-INVERSO PEPTIDES AND NEW INTERMEDIATES THEREOF SCLAVO S.P.A. (IT) 1992-05-26 US disclosed
US-5061811-A PROCESS FOR THE PREPARATION OF RETRO-INVERSO PEPTIDES AND 1,3-DIOXANE-4,6-DIONE INTERMEDIATES THEREOF SCLAVO S.P.A. (IT) 1991-10-29 US disclosed
EP-0375040-A2 Process for the preparation of retro-inverso peptides and new intermediates thereof SCLAVO S.p.A. (IT) 1990-06-27 EP disclosed
EP-0078952-B1 N-AMINOALKYL IODOTHYRONINE DERIVATIVES, IODOTHYRONINE IMMUNOGENS AND ANTIBODIES MILES LABORATORIES, INC. (US) 1986-02-26 EP disclosed
EP-0087564-A1 Specific binding assay method, reagent system and labelled conjugate for use in this method MILES LABORATORIES, INC. (US) 1983-09-07 EP disclosed
US-4399121-A Iodothyronine immunogens and antibodies MILES LABORATORIES, INC. (US) 1983-08-16 US disclosed
EP-0079489-A1 Methotrexate-labeled iodothyronine conjugates and method, reagent means and test device for the determination of iodothyronine in or iodothyronine uptake of a liquid sample MILES LABORATORIES, INC. (US) 1983-05-25 EP disclosed
EP-0078952-A1 N-aminoalkyl iodothyronine derivatives, iodothyronine immunogens and antibodies MILES LABORATORIES, INC. (US) 1983-05-18 EP disclosed
US-4358604-A ANTIBODIES-USEFUL IN IMMUNOASSAY MILES LABORATORIES, INC. (US) 1982-11-09 US disclosed