SCHEMBL8541978

SCHEMBL8541978

[CH2]C([CH2])(C(=O)OCC)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALOX15 P16050 1/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
SOAT1 P35610 1/20 0.43
PKM P14618 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP4F2 P78329 3/20 0.42
CYP4A11 Q02928 3/20 0.42
THRB P10828 1/20 0.42
HTT P42858 1/20 0.41
TRPA1 O75762 1/20 0.40
PIN1 Q13526 1/20 0.39
MMP8 P22894 1/20 0.39

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
SCHEMBL15484274 0.83 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL3576477 0.81
SCHEMBL129566 0.81
SCHEMBL128153 0.79 CYP4F2 (0.44) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL15301624 0.79
SCHEMBL7670045 0.79
SCHEMBL27351435 0.77
SCHEMBL19924987 0.77
SCHEMBL6547182 0.77 PKM (0.48) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL7667823 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0624097-B1 TARGETING RADIOACTIVE IMMUNOREAGENTS NYCOMED IMAGING AS (NO) 1998-03-18 EP disclosed
US-5707603-A Pyridine complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions NYCOMED IMAGING AS (NO) 1998-01-13 US disclosed
US-5677445-A DIAGNOSIS, THERAPY NYCOMED IMAGING AS (NO) 1997-10-14 US disclosed
US-5523402-A COMPLEXING AGENTS FOR TARGETING RADIOACTIVE IMMUNOREAGENTS STERLING WINTHROP INC. (US) 1996-06-04 US disclosed
EP-0639083-A1 COMPLEXING AGENTS AND TARGETING IMMUNOREAGENTS NYCOMED IMAGING AS (NO) 1995-02-22 EP disclosed
EP-0624097-A1 TARGETING RADIOACTIVE IMMUNOREAGENTS NYCOMED IMAGING AS (NO) 1994-11-17 EP disclosed
WO-1993021957-A1 COMPLEXING AGENTS AND TARGETING IMMUNOREAGENTS STERLING WINTHROP INC. (US) 1993-11-11 WO disclosed
WO-1992008494-A2 TARGETING RADIOACTIVE IMMUNOREAGENTS STERLING WINTHROP INC. (US) 1992-05-29 WO disclosed