SCHEMBL7996955

SCHEMBL7996955

CN(C(N)=O)c1ccc(CCOc2ccc(C=O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PPARA Q07869 2/20 0.44
PPARG P37231 1/20 0.44
FFAR1 O14842 1/20 0.42
LTA4H P09960 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 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
SCHEMBL8000551 0.80 HPGD (0.64) HPGDPPARG
SCHEMBL8000557 0.80 HPGD (0.64) HPGDPPARG
SCHEMBL7987983 0.77 LMNA (0.55) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL2231854 0.76 ALDH1A1 (0.61) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL21399403 0.76 SMN1; SMN2 (0.46) LMNAALDH1A1MAPTSMN1; SMN2LTA4H
SCHEMBL2232274 0.76 ALDH1A1 (0.61) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL2232493 0.76 ALDH1A1 (0.63) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL7996783 0.76 MAPT (0.57) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL2231178 0.76 ALDH1A1 (0.66) LMNAALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL2231514 0.76 ALDH1A1 (0.63) LMNAALDH1A1MAPTHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288096-B1 ANTIDIABETIC AGENTS, HYPOTENSIVE AGENTS, AND ANTICHOLESTEROL AGENTS ASTRAZENECA AB (SE) 2001-09-11 US disclosed
EP-0991632-A1 NEW THIAZOLIDINEDIONE, OXAZOLIDINEDIONE AND OXADIAZOLIDINEDIONE DERIVATIVES Astra Aktiebolag (SE) 2000-04-12 EP disclosed
WO-1998057941-A1 NEW THIAZOLIDINEDIONE, OXAZOLIDINEDIONE AND OXADIAZOLIDINEDIONE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1998-12-23 WO disclosed