SCHEMBL9765290

SCHEMBL9765290

CC(CNC(=O)OCc1ccccc1)c1ccc(OCC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.55
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CASP1 P29466 1/20 0.49
TP53 P04637 1/20 0.49
BCHE P06276 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ACHE P22303 1/20 0.47
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL13073758 0.86 LMNA (0.55) CTSSCTSKHTT
SCHEMBL13073762 0.86 LMNA (0.55) CTSSCTSKHTT
SCHEMBL9765305 0.85 LMNA (0.51) CTSSCTSKHTT
SCHEMBL6185436 0.83 LMNA (0.49) ALDH1A1CTSSCTSKHTT
SCHEMBL6557654 0.83 CYP3A4 (0.49) ALDH1A1TSHRMAPTCTSSCTSK
SCHEMBL5328614 0.82 PPARG (0.50) MAPTL3MBTL1CA1CA2ACHE
SCHEMBL8079357 0.81 CYP3A4 (0.47) ALDH1A1TSHRMAPTCA1CA2
SCHEMBL5988161 0.80 PLAU (0.50) ALDH1A1TSHRMAPTL3MBTL1BCHE
SCHEMBL9765333 0.79 ALDH1A1 (0.66) ALDH1A1TSHRMAPT
SCHEMBL22593378 0.79 ALDH1A1 (0.58) ALDH1A1TSHRMAPTCA1CA2

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
EP-0255728-B1 PHENOXYACETIC ACID COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITION AND USE TANABE SEIYAKU CO., LTD. (JP) 1991-11-27 EP disclosed
US-4866196-A ANTICOAGULANTS TANABE SEIYAKU CO., LTD. (JP) 1989-09-12 US disclosed
EP-0255728-A2 Phenoxyacetic acid compounds, their preparation, pharmaceutical composition and use TANABE SEIYAKU CO., LTD. (JP) 1988-02-10 EP disclosed