SCHEMBL1680972

SCHEMBL1680972

COc1ccc(C(O)C(=O)O)cc1.[CaH2]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
BLM P54132 1/20 0.54
LMNA P02545 2/20 0.54
MAPK1 P28482 1/20 0.54
LDHA P00338 1/20 0.52
PTGS2 P35354 3/20 0.50
AKR1C3 P42330 3/20 0.50
AKR1C2 P52895 3/20 0.50
PTGS1 P23219 2/20 0.50
CYP1A2 P05177 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CDC42 P60953 1/20 0.50
RAC1 P63000 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
ACP3 P15309 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CES2 O00748 1/20 0.47

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
SCHEMBL1891332 1.00 TSHR (0.54) TSHRNPSR1BLMLMNAMAPK1
SCHEMBL503627 0.98 TSHR (0.56) TSHRNPSR1BLMLMNAMAPK1
SCHEMBL4634271 0.98 TSHR (0.56) TSHRNPSR1BLMLMNAMAPK1
SCHEMBL503628 0.98 TSHR (0.56) TSHRNPSR1BLMLMNAMAPK1
SCHEMBL15485802 0.96 TSHR (0.54) TSHRNPSR1BLMLMNAMAPK1
SCHEMBL11838733 0.92 FFAR1 (0.53) TSHRNPSR1BLMLMNAMAPK1
Alanine SCHEMBL11205694 0.89 GRM8 (0.49) TSHRNPSR1BLMLMNAMAPK1
D-Alanine SCHEMBL11208761 0.89 GRM8 (0.49) TSHRNPSR1BLMLMNAMAPK1
SCHEMBL30967609 0.84 ESR1 (0.58) TSHRNPSR1BLMLMNALDHA
SCHEMBL10757243 0.82 CA1 (0.48) TSHRNPSR1LDHAPTGS2AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488579-B1 THERMOPLASTIC POLYMER COMPOSITION MILLIKEN & CO (US) 2017-05-03 EP disclosed
US-8779045-B2 Thermoplastic polymer composition MILLIKEN & COMPANY (US) 2014-07-15 US disclosed
EP-2488579-A1 THERMOPLASTIC POLYMER COMPOSITION Milliken & Company (US) 2012-08-22 EP disclosed
US-20110105664-A1 THERMOPLASTIC POLYMER COMPOSITION MILLIKEN & COMPANY 2011-05-05 US disclosed
WO-2011047108-A1 THERMOPLASTIC POLYMER COMPOSITION MILLIKEN & COMPANY (US) 2011-04-21 WO disclosed