SCHEMBL7987766

SCHEMBL7987766

O=Cc1ccc(OCCc2ccc(OS(=O)(=O)C(F)(F)F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
STS P08842 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
PPARG P37231 4/20 0.43
PPARA Q07869 4/20 0.43
FFAR1 O14842 1/20 0.41
LTA4H P09960 1/20 0.40
RAB9A P51151 2/20 0.40
PTPRZ1 P23471 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.39
PPARD Q03181 1/20 0.38

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
SCHEMBL840975 0.83 STS (0.60) ALDH1A1LMNASMN1; SMN2STSCA1
SCHEMBL7987761 0.83 ALDH1A1 (0.55) HPGDALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL21331781 0.81 ALDH1A1 (0.53) HPGDALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL7996839 0.81 CA12 (0.51) HPGDALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL4048717 0.81 ALDH1A1 (0.58) HPGDALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL2232877 0.81 ALDH1A1 (0.58) HPGDALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL21801116 0.80 ALDH1A1 (0.46) HPGDALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL7987746 0.80 ALDH1A1 (0.51) HPGDALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL1299974 0.79 RAB9A (0.61) HPGDALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL8000424 0.79 HPGD (0.71) HPGD

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