SCHEMBL1644936

SCHEMBL1644936

O=C(O)C=CC1C=CC(O)(O)C=C1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33

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
SCHEMBL8641566 0.79
SCHEMBL9618133 0.79 HCAR2 (0.32)
SCHEMBL6652488 0.77 TSHR (0.40) TSHRTP53EGLN1EGLN3
Maleic Acid SCHEMBL31231832 0.59
Maleic Acid SCHEMBL27583410 0.57 TSHR (0.82) TSHRTP53EGLN1EGLN3
Maleic Acid SCHEMBL28275189 0.57 TSHR (0.82) TSHRTP53EGLN1EGLN3
SCHEMBL31287523 0.56 TSHR (0.38) TSHRTP53EGLN1EGLN3
Fumaric Acid SCHEMBL6875 0.56 TSHR (1.00) TSHRTP53EGLN1EGLN3
Maleic Acid SCHEMBL20487516 0.56 TSHR (1.00) TSHRTP53EGLN1EGLN3
Fumaric Acid SCHEMBL3998225 0.56

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-2303252-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC SYNDROME AND INSULIN RESISTANCE Jungbauer, Alois (AT) 2011-04-06 EP disclosed
WO-2009137859-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC SYNDROME AND INSULIN RESISTANCE JUNGBAUER ALOIS (AT) 2009-11-19 WO disclosed