SCHEMBL5764044

SCHEMBL5764044

CC(=O)OOc1ccc(Cl)cc1-c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.47
BACE1 P56817 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SLC6A9 P48067 1/20 0.40
ERN1 O75460 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PTGER1 P34995 1/20 0.39
HPGD P15428 2/20 0.38
MME P08473 1/20 0.38
MMEL1 Q495T6 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSA P10619 1/20 0.37
AMY1A P0DUB6 1/20 0.36

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
SCHEMBL5763920 0.87 PTGDR2 (0.46) PTGDR2ALDH1A1LMNAKMT2A
SCHEMBL5764049 0.83 BACE1 (0.54) PTGDR2BACE1ALDH1A1ERN1SLC6A4
SCHEMBL27658681 0.82 PTGDR2 (0.40) PTGDR2ALDH1A1CTSA
SCHEMBL1052379 0.80 TDP1 (0.50) ALDH1A1SLC6A3HPGDLMNASMN1; SMN2
SCHEMBL330287 0.79 TSHR (0.51) ALDH1A1PTGER1HPGDLMNASMN1; SMN2
SCHEMBL21328027 0.78 TDP1 (0.49) ALDH1A1SLC6A3HPGDLMNASMN1; SMN2
SCHEMBL21328029 0.78 TDP1 (0.49) ALDH1A1SLC6A3HPGDLMNASMN1; SMN2
SCHEMBL21328039 0.78 TDP1 (0.49) ALDH1A1SLC6A3HPGDLMNASMN1; SMN2
SCHEMBL21328025 0.78 TDP1 (0.49) ALDH1A1SLC6A3HPGDLMNASMN1; SMN2
SCHEMBL3962123 0.78 TDP1 (0.49) ALDH1A1SLC6A3HPGDLMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611091-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2006-01-04 EP disclosed
WO-2004089885-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-10-21 WO disclosed